ChemSpider 2D Image | (3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-{[(2Z)-3,4-dicarboxy-2-butenoyl]amino}-alpha-L-lyxo-hexopyranoside | C33H33NO15

(3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-{[(2Z)-3,4-dicarboxy-2-butenoyl]amino}-α-L-lyxo-hexopyranoside

  • Molecular FormulaC33H33NO15
  • Average mass683.613 Da
  • Monoisotopic mass683.184998 Da
  • ChemSpider ID4946070

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-{[(2Z)-3,4-dicarboxy-2-butenoyl]amino}-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-2,3,6-tridesoxy-3-{[(2Z)-3,4-dicarboxy-2-butenoyl]amino}-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
2,3,6-Tridésoxy-3-{[(2Z)-3,4-dicarboxy-2-butenoyl]amino}-α-L-lyxo-hexopyranoside de (3S)-3-acétyl-3,5,12-trihydroxy-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
α-L-lyxo-Hexopyranoside, (3S)-3-acetyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl 2,3,6-trideoxy-3-[[(2Z)-3,4-dicarboxy-1-oxo-2-buten-1-yl]amino]- [ACD/Index Name]
(2Z)-2-({[(2S,3S,4S,6R)-6-{[(3S)-3-ACETYL-3,5,12-TRIHYDROXY-10-METHOXY-6,11-DIOXO-1,2,3,4,6,11-HEXAHYDROTETRACEN-1-YL]OXY}-3-HYDROXY-2-METHYLOXAN-4-YL]CARBAMOYL}METHYLIDENE)BUTANEDIOIC ACID
(2Z)-2-({[(2S,3S,4S,6R)-6-{[(3S)-3-ACETYL-3,5,12-TRIHYDROXY-10-METHOXY-6,11-DIOXO-2,4-DIHYDRO-1H-TETRACEN-1-YL]OXY}-3-HYDROXY-2-METHYLOXAN-4-YL]CARBAMOYL}METHYLIDENE)BUTANEDIOIC ACID
5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((3,4-dicarboxy-1-oxo-2-butenyl)amino)-α-L-lyxo-hexopyranosyl)oxy)-, (8S-(8α,10α(Z)))-
80445-77-8 [RN]
N-Aconityldaunomycin
N-ADM
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 1024.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.7±3.0 kJ/mol
Flash Point: 573.1±34.3 °C
Index of Refraction: 1.698
Molar Refractivity: 160.9±0.4 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.23
ACD/LogD (pH 5.5): -3.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 264 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 97.2±5.0 dyne/cm
Molar Volume: 417.4±5.0 cm3

Click to predict properties on the Chemicalize site


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