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Aclarubicin

Molecular FormulaC₄₂H₅₃NO₁₅
Average mass811.868 Da
Monoisotopic mass811.341492 Da
ChemSpider ID397638

- 13 of 13 defined stereocentres

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Featured data source

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1R,2R,4S)-2-Éthyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-tridésoxy-4-O-{2,6-didésoxy-4-O-[(2R,6S)-6-méthyl-5-oxotétrahydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl}-3-(diméthylamino)-α-L-lyxo-hex opyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tétracènecarboxylate de méthyle [French] [ACD/IUPAC Name]

1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2R,6S)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl]-α-L-lyxo-hexopyra nosyl]-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-, methyl ester, (1R,2R,4S)- [ACD/Index Name]

1-naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2R,6S)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl]-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-, methyl ester, (1R,2R,4S)-

260-824-3 [EINECS]

57576-44-0 [RN]

74KXF8I502

Aclacinomycin A

Aclacur

Aclarubicin [INN] [USAN]

aclarubicina [Spanish] [INN]

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aclarubicine [French] [INN]

aclarubicinum [Latin] [INN]

Antibiotic MA 144A1

MA 144-A1

Methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl}-3-(dimethylamino)-α-L-lyx o-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate [ACD/IUPAC Name]

Methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl}-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate

Methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl}-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

Methyl-(1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-tridesoxy-4-O-{2,6-didesoxy-4-O-[(2R,6S)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl}-3-(dimethylamino)-α-L-l yxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetracencarboxylat [German] [ACD/IUPAC Name]

(1R,2R,4S)-2-ethyl-2,7-dihydroxy-1-(methoxycarbonyl)-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl}-3-(dimethylammonio)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracen-5-olate

2-Ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl]-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]-oxy]-1-naphthacenecarboxalic acid methyl ester

Aclacin

Aclacinomycin

aclacinomycin A zwitterion

ACLACINOMYCIN A1

aclacinomycins

Aclarubicin (USAN/INN)

aclarubicin free base

aclarubicin; aclarubicina; aclarubicine; aclarubicinum

Aclarubicin260-824-3MFCD00866250

aclarubicina

aclarubicine

Aclarubicins

aclarubicinum

Jaclacin

methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

MFCD00866250

Spartanamicin B

UNII:74KXF8I502

UNII-74KXF8I502

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4945 [DBID]

AIDS000124 [DBID]

AIDS-000124 [DBID]

CCRIS 2262 [DBID]

D02756 [DBID]

KBio2_000947 [DBID]

KBio2_003515 [DBID]

KBio2_006083 [DBID]

KBioGR_001156 [DBID]

KBioSS_000947 [DBID]

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Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.4±0.1 g/cm³
Boiling Point:	897.7±65.0 °C at 760 mmHg
Vapour Pressure:	0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization:	136.7±3.0 kJ/mol
Flash Point:	496.7±34.3 °C
Index of Refraction:	1.629
Molar Refractivity:	202.6±0.4 cm³
#H bond acceptors:	16
#H bond donors:	4
#Freely Rotating Bonds:	10
#Rule of 5 Violations:	3

ACD/LogP:	5.32
ACD/LogD (pH 5.5):	1.67
ACD/BCF (pH 5.5):	2.98
ACD/KOC (pH 5.5):	16.28
ACD/LogD (pH 7.4):	1.79
ACD/BCF (pH 7.4):	3.91
ACD/KOC (pH 7.4):	21.37
Polar Surface Area:	217 Å²
Polarizability:	80.3±0.5 10^-24cm³
Surface Tension:	70.4±5.0 dyne/cm
Molar Volume:	569.9±5.0 cm³

Click to predict properties on the Chemicalize site

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Aclarubicin

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