ChemSpider 2D Image | (1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl (3xi)-2,6-dideoxy-alpha-L-threo-hexopyranoside | C27H28O12

(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl (3ξ)-2,6-dideoxy-α-L-threo-hexopyranoside

  • Molecular FormulaC27H28O12
  • Average mass544.504 Da
  • Monoisotopic mass544.158081 Da
  • ChemSpider ID65331

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl (3ξ)-2,6-dideoxy-α-L-threo-hexopyranoside [ACD/IUPAC Name]
(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-(3ξ)-2,6-didesoxy-α-L-threo-hexopyranosid [German] [ACD/IUPAC Name]
(3ξ)-2,6-Didésoxy-α-L-thréo-hexopyranoside de (1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacétyl)-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 10-[[(3ξ)-2,6-dideoxy-α-L-threo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-, (8S,10S)- [ACD/Index Name]
(8S,10S)-10-{[(2R,5S,6S)-4,5-DIHYDROXY-6-METHYLOXAN-2-YL]OXY}-6,8,11-TRIHYDROXY-8-(2-HYDROXYACETYL)-1-METHOXY-5,7,8,9,10,12-HEXAHYDROTETRACENE-5,12-DIONE
(8S,10S)-10-{[(2R,5S,6S)-4,5-DIHYDROXY-6-METHYLOXAN-2-YL]OXY}-6,8,11-TRIHYDROXY-8-(2-HYDROXYACETYL)-1-METHOXY-9,10-DIHYDRO-7H-TETRACENE-5,12-DIONE
(8S-CIS)-10-[(2,6-DIDEOXY-A-L-LYXO-HEXOPYRANOSYL]-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-8-(HYDROXYACETYL)-1-METHOXY-5,12-NAPHTHACENEDIONE
3'-deamino-3'-hydroxydoxorubicin
5,12-Naphthacenedione, 10-((2,6-dideoxy-α-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((2,6-dideoxy-α-L-lyxo-hexopyranosyl)oxy)-8-(hydroxyacetyl)-1-methoxy-6,8,11-trihydroxy-, (8S-cis)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 5205491 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 818.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.7±3.0 kJ/mol
Flash Point: 274.7±27.8 °C
Index of Refraction: 1.712
Molar Refractivity: 129.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.57
ACD/KOC (pH 5.5): 199.33
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 3.72
ACD/KOC (pH 7.4): 64.12
Polar Surface Area: 200 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 99.0±5.0 dyne/cm
Molar Volume: 330.4±5.0 cm3

Click to predict properties on the Chemicalize site


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