ChemSpider 2D Image | Ophiopogonin B | C39H62O12

Ophiopogonin B

  • Molecular FormulaC39H62O12
  • Average mass722.902 Da
  • Monoisotopic mass722.424133 Da
  • ChemSpider ID30791715

  • defined stereocentres - 22 of 22 defined stereocentres

More details:

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

(1β,3β,25R)-3-Hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-galactopyranoside [ACD/IUPAC Name]
(1β,3β,25R)-3-Hydroxyspirost-5-en-1-yl-6-desoxy-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-galactopyranosid [German] [ACD/IUPAC Name]
38971-41-4 [RN]
6-Désoxy-2-O-(6-désoxy-α-L-mannopyranosyl)-β-D-galactopyranoside de (1β,3β,25R)-3-hydroxyspirost-5-én-1-yle [French] [ACD/IUPAC Name]
Ophiopogonin B
β-D-Galactopyranoside, (1β,3β,25R)-3-hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)- [ACD/Index Name]

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

S18059B04U [DBID]
UNII:S18059B04U [DBID]
UNII-S18059B04U [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 835.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.2±6.0 kJ/mol
Flash Point: 459.2±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 185.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 4
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1574.30
ACD/KOC (pH 5.5): 6761.96
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1574.28
ACD/KOC (pH 7.4): 6761.90
Polar Surface Area: 177 Å2
Polarizability: 73.4±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 538.4±5.0 cm3

Click to predict properties on the Chemicalize site


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