ChemSpider 2D Image | Ophiopogonin A | C41H64O13

Ophiopogonin A

  • Molecular FormulaC41H64O13
  • Average mass764.939 Da
  • Monoisotopic mass764.434692 Da
  • ChemSpider ID35293697

  • 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 2-O-(3-O-acetyl-6-deoxy-α-L-mannopyranosyl)-6-deoxy-α-D-galactopyranoside [ACD/IUPAC Name]
(1β,3β,25R)-3-Hydroxyspirost-5-en-1-yl-2-O-(3-O-acetyl-6-desoxy-α-L-mannopyranosyl)-6-desoxy-α-D-galactopyranosid [German] [ACD/IUPAC Name]
11054-24-3 [RN]
2-O-(3-O-Acétyl-6-désoxy-α-L-mannopyranosyl)-6-désoxy-α-D-galactopyranoside de (1β,3β,25R)-3-hydroxyspirost-5-én-1-yle [French] [ACD/IUPAC Name]
Ophiopogonin A
α-D-Galactopyranoside, (1β,3β,25R)-3-hydroxyspirost-5-en-1-yl 2-O-(3-O-acetyl-6-deoxy-α-L-mannopyranosyl)-6-deoxy- [ACD/Index Name]
[11054-24-3] [RN]
MFCD11111458 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 846.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.9±6.0 kJ/mol
Flash Point: 250.5±27.8 °C
Index of Refraction: 1.592
Molar Refractivity: 194.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 2016.84
ACD/KOC (pH 5.5): 8073.85
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2016.82
ACD/KOC (pH 7.4): 8073.77
Polar Surface Area: 183 Å2
Polarizability: 77.2±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 575.8±5.0 cm3

Click to predict properties on the Chemicalize site


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