ChemSpider 2D Image | (3beta,5alpha,17beta,25R)-17-Hydroxy-6-oxospirostan-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C39H62O14

(3β,5α,17β,25R)-17-Hydroxy-6-oxospirostan-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC39H62O14
  • Average mass754.901 Da
  • Monoisotopic mass754.413940 Da
  • ChemSpider ID115015850

  • defined stereocentres - 22 of 22 defined stereocentres

More details:

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

(3β,5α,17β,25R)-17-Hydroxy-6-oxospirostan-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5α,17β,25R)-17-Hydroxy-6-oxospirostan-3-yl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (3β,5α,17β,25R)-17-hydroxy-6-oxospirostan-3-yle [French] [ACD/IUPAC Name]
Spirostan-6-one, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-17-hydroxy-, (3β,5α,17β,25R)- [ACD/Index Name]
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S)-16-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-one
(25R)-3??,17??-dihydroxy-5??- spirostan-6-one3-O-??-L- rhamnopyranosyl-(1??2)-??- D-glucopyranoside
143051-94-9 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 890.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.0±6.0 kJ/mol
Flash Point: 268.4±27.8 °C
Index of Refraction: 1.612
Molar Refractivity: 187.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 69.04
ACD/KOC (pH 5.5): 721.14
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 69.03
ACD/KOC (pH 7.4): 721.13
Polar Surface Area: 214 Å2
Polarizability: 74.2±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 538.9±5.0 cm3

Click to predict properties on the Chemicalize site


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