ChemSpider 2D Image | 7W3RB6E22W | C27H30N2O10

7W3RB6E22W

  • Molecular FormulaC27H30N2O10
  • Average mass542.534 Da
  • Monoisotopic mass542.190063 Da
  • ChemSpider ID32701310

  • 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-11-imino-10-methoxy-6-oxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-11-imino-10-methoxy-6-oxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-3-amino-2,3,6-tridesoxy-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
3-Amino-2,3,6-tridésoxy-α-L-lyxo-hexopyranoside de (1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacétyl)-11-imino-10-méthoxy-6-oxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5(8H)-Naphthacenone, 10-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-7,9,10,12-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-12-imino-1-methoxy-, (8S,10S)- [ACD/Index Name]
7W3RB6E22W
84275-95-6 [RN]
236095-29-7 [RN]
5-Iminodoxorubicin

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

GPX-150 [DBID]
UNII:VI79RD8VNN [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 786.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 429.6±32.9 °C
Index of Refraction: 1.730
Molar Refractivity: 128.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 0.31
ACD/LogD (pH 5.5): -2.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.21
Polar Surface Area: 213 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 71.2±7.0 dyne/cm
Molar Volume: 321.6±7.0 cm3

Click to predict properties on the Chemicalize site


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