ChemSpider 2D Image | (4R,5R,6R,6aS,9S,9aE,10aR)-5-Hydroxy-3-isopropyl-9-(methoxymethyl)-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl 6-amino-6-deoxy-alpha-D-glucopyranoside | C27H45NO7

(4R,5R,6R,6aS,9S,9aE,10aR)-5-Hydroxy-3-isopropyl-9-(methoxymethyl)-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl 6-amino-6-deoxy-α-D-glucopyranoside

  • Molecular FormulaC27H45NO7
  • Average mass495.649 Da
  • Monoisotopic mass495.319611 Da
  • ChemSpider ID129305031

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(4R,5R,6R,6aS,9S,9aE,10aR)-5-Hydroxy-3-isopropyl-9-(methoxymethyl)-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl 6-amino-6-deoxy-α-D-glucopyranoside [ACD/IUPAC Name]
(4R,5R,6R,6aS,9S,9aE,10aR)-5-Hydroxy-3-isopropyl-9-(methoxymethyl)-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl-6-amino-6-desoxy-α-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Amino-6-désoxy-α-D-glucopyranoside de (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-3-isopropyl-9-(méthoxyméthyl)-6,10a-diméthyl-1,2,4,5,6,6a,7,8,9,10a-décahydrodicyclopenta[a,d][8]annulén-4-yle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (4R,5R,6R,6aS,9S,9aE,10aR)-1,2,4,5,6,6a,7,8,9,10a-decahydro-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(1-methylethyl)dicyclopenta[a,d]cycloocten-4-yl 6-amino-6-deoxy- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 651.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.9±6.0 kJ/mol
Flash Point: 347.5±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 132.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.37
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 2.58
ACD/KOC (pH 7.4): 20.63
Polar Surface Area: 135 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 399.7±5.0 cm3

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