ChemSpider 2D Image | VN3099000 | C42H68O13

VN3099000

  • Molecular FormulaC42H68O13
  • Average mass780.982 Da
  • Monoisotopic mass780.466003 Da
  • ChemSpider ID96945

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(3β,13α,16α,17α)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl 6-deoxy-3-O-β-D-glucopyranosyl-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,13α,16α,17α)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl-6-desoxy-3-O-β-D-glucopyranosyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
(3β,16α)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl 6-deoxy-3-O-β-D-glucopyranosyl-β-D-galactopyranoside
(3β,16α,17α,18α)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl 6-deoxy-3-O-β-D-glucopyranosyl-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,16α,17α,18α)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl-6-desoxy-3-O-β-D-glucopyranosyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
20874-52-6 [RN]
6-Désoxy-3-O-β-D-glucopyranosyl-β-D-galactopyranoside de (3β,13α,16α,17α)-16,23-dihydroxy-13,28-époxyoléan-11-én-3-yle [French] [ACD/IUPAC Name]
6-Désoxy-3-O-β-D-glucopyranosyl-β-D-galactopyranoside de (3β,16α,17α,18α)-16,23-dihydroxy-13,28-époxyoléan-11-én-3-yle [French] [ACD/IUPAC Name]
MFCD09028095 [MDL number]
Saikosaponin D
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

UR635J3F00 [DBID]
AIDS211407 [DBID]
AIDS-211407 [DBID]
UNII:UR635J3F00 [DBID]
UNII-UR635J3F00 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 893.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 147.5±6.0 kJ/mol
    Flash Point: 494.3±34.3 °C
    Index of Refraction: 1.617
    Molar Refractivity: 200.8±0.4 cm3
    #H bond acceptors: 13
    #H bond donors: 8
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 3
    ACD/LogP: 3.65
    ACD/LogD (pH 5.5): 3.31
    ACD/BCF (pH 5.5): 193.60
    ACD/KOC (pH 5.5): 1508.60
    ACD/LogD (pH 7.4): 3.31
    ACD/BCF (pH 7.4): 193.60
    ACD/KOC (pH 7.4): 1508.58
    Polar Surface Area: 208 Å2
    Polarizability: 79.6±0.5 10-24cm3
    Surface Tension: 67.5±5.0 dyne/cm
    Molar Volume: 574.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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