ChemSpider 2D Image | 13-Dihydrocarminomycin | C26H29NO10

13-Dihydrocarminomycin

  • Molecular FormulaC26H29NO10
  • Average mass515.509 Da
  • Monoisotopic mass515.179138 Da
  • ChemSpider ID391925

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(1S,3S)-3,5,10,12-Tetrahydroxy-3-[(1R)-1-hydroxyethyl]-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(1S,3S)-3,5,10,12-Tetrahydroxy-3-[(1R)-1-hydroxyethyl]-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-3-amino-2,3,6-tridesoxy-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
13-Dihydrocarminomycin
3-Amino-2,3,6-tridésoxy-α-L-lyxo-hexopyranoside de (1S,3S)-3,5,10,12-tétrahydroxy-3-[(1R)-1-hydroxyéthyl]-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-8-[(1R)-1-hydroxyethyl]-, (8S,10S)- [ACD/Index Name]
62182-86-9 [RN]

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

C12431 [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: 752.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 115.1±3.0 kJ/mol
Flash Point: 409.0±32.9 °C
Index of Refraction: 1.734
Molar Refractivity: 126.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 3.60
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.62
Polar Surface Area: 200 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 102.4±5.0 dyne/cm
Molar Volume: 315.7±5.0 cm3

Click to predict properties on the Chemicalize site


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