ChemSpider 2D Image | 2-Acetyl-4-[(3-amino-2,3,6-trideoxyhexopyranosyl)oxy]-7,12-dihydroxy-5-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl 3-amino-2,3,6-trideoxyhexopyranoside | C33H40N2O12

2-Acetyl-4-[(3-amino-2,3,6-trideoxyhexopyranosyl)oxy]-7,12-dihydroxy-5-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl 3-amino-2,3,6-trideoxyhexopyranoside

  • Molecular FormulaC33H40N2O12
  • Average mass656.677 Da
  • Monoisotopic mass656.258118 Da
  • ChemSpider ID286777

More details:

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

2-Acetyl-4-[(3-amino-2,3,6-trideoxyhexopyranosyl)oxy]-7,12-dihydroxy-5-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl 3-amino-2,3,6-trideoxyhexopyranoside [ACD/IUPAC Name]
2-Acetyl-4-[(3-amino-2,3,6-tridesoxyhexopyranosyl)oxy]-7,12-dihydroxy-5-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl-3-amino-2,3,6-tridesoxyhexopyranosid [German] [ACD/IUPAC Name]
3-Amino-2,3,6-tridésoxyhexopyranoside de 2-acétyl-4-[(3-amino-2,3,6-tridésoxyhexopyranosyl)oxy]-7,12-dihydroxy-5-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 8-acetyl-8,10-bis[(3-amino-2,3,6-trideoxyhexopyranosyl)oxy]-7,8,9,10-tetrahydro-1,6-dihydroxy-11-methoxy- [ACD/Index Name]

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

NSC286633 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 897.9±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: 496.9±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 162.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.04
ACD/LogD (pH 5.5): -2.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 230 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 82.9±5.0 dyne/cm
Molar Volume: 434.5±5.0 cm3

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