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 2,3,6-trideoxy-3-{[(4-hydroxyphenoxy)acetyl]amino}-alpha-L-lyxo-hexopyranoside | C35H35NO14

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

  • Molecular FormulaC35H35NO14
  • Average mass693.651 Da
  • Monoisotopic mass693.205750 Da
  • ChemSpider ID75816

  • defined stereocentres - 6 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 2,3,6-trideoxy-3-{[(4-hydroxyphenoxy)acetyl]amino}-α-L-lyxo-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-2,3,6-tridesoxy-3-{[(4-hydroxyphenoxy)acetyl]amino}-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
2,3,6-Tridésoxy-3-{[2-(4-hydroxyphénoxy)acétyl]amino}-α-L-lyxo-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, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-[[2-(4-hydroxyphenoxy)acetyl]amino]-α-L-lyxo-hexopyranosyl]oxy]-, (8S,10S)- [ACD/Index Name]
131089-08-2 [RN]
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-((2,3,6-trideoxy-3-(((4-hydroxyphenoxy)acetyl)amino)-α-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-
Doxorubicin-N-4-hydroxyphenoxyacetamide
N-[(2S,3S,4S,6R)-3-HYDROXY-2-METHYL-6-{[(1S,3S)-3,5,12-TRIHYDROXY-3-(2-HYDROXYACETYL)-10-METHOXY-6,11-DIOXO-1,2,3,4,6,11-HEXAHYDROTETRACEN-1-YL]OXY}OXAN-4-YL]-2-(4-HYDROXYPHENOXY)ACETAMIDE
N-[(2S,3S,4S,6R)-3-HYDROXY-2-METHYL-6-{[(1S,3S)-3,5,12-TRIHYDROXY-3-(2-HYDROXYACETYL)-10-METHOXY-6,11-DIOXO-2,4-DIHYDRO-1H-TETRACEN-1-YL]OXY}OXAN-4-YL]-2-(4-HYDROXYPHENOXY)ACETAMIDE
p-DPO

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1012.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.9±3.0 kJ/mol
Flash Point: 566.4±34.3 °C
Index of Refraction: 1.715
Molar Refractivity: 168.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 23.07
ACD/KOC (pH 5.5): 326.65
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 7.43
ACD/KOC (pH 7.4): 105.21
Polar Surface Area: 239 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 96.6±5.0 dyne/cm
Molar Volume: 430.0±5.0 cm3

Click to predict properties on the Chemicalize site


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