Found 4 results

Search term: MF = 'C_{62}H_{102}N_{2}O_{27}'
ChemSpider 2D Image | (3beta,5alpha)-25-Hydroxy-4,4-dimethyl-23-oxocholest-8-en-3-yl (4xi)-2-acetamido-2-deoxy-beta-D-xylo-hexopyranosyl-(1->4)-[(4xi)-D-xylo-hexopyranosyl-(1->2)-D-glucopyranosyl-(1->6)-(4xi)-2-acetamido-2 -deoxy-D-ribo-hexopyranosyl-(1->2)]-alpha-D-xylopyranoside | C62H102N2O27

(3β,5α)-25-Hydroxy-4,4-dimethyl-23-oxocholest-8-en-3-yl (4ξ)-2-acetamido-2-deoxy-β-D-xylo-hexopyranosyl-(1->4)-[(4ξ)-D-xylo-hexopyranosyl-(1->2)-D-glucopyranosyl-(1->6)-(4ξ)-2-acetamido-2 -deoxy-D-ribo-hexopyranosyl-(1->2)]-α-D-xylopyranoside

  • Molecular FormulaC62H102N2O27
  • Average mass1307.470 Da
  • Monoisotopic mass1306.666992 Da
  • ChemSpider ID28282870

  • defined stereocentres - 24 of 31 defined stereocentres

More details:

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(3β,5α)-25-Hydroxy-4,4-dimethyl-23-oxocholest-8-en-3-yl (4ξ)-2-acetamido-2-deoxy-β-D-xylo-hexopyranosyl-(1->4)-[(4ξ)-D-xylo-hexopyranosyl-(1->2)-D-glucopyranosyl-(1->6)-(4ξ)-2-acetamido-2 -deoxy-D-ribo-hexopyranosyl-(1->2)]-α-D-xylopyranoside [ACD/IUPAC Name]
(3β,5α)-25-Hydroxy-4,4-dimethyl-23-oxocholest-8-en-3-yl-(4ξ)-2-acetamido-2-desoxy-β-D-xylo-hexopyranosyl-(1->4)-[(4ξ)-D-xylo-hexopyranosyl-(1->2)-D-glucopyranosyl-(1->6)-(4ξ)-2-acetamido- 2-desoxy-D-ribo-hexopyranosyl-(1->2)]-α-D-xylopyranosid [German] [ACD/IUPAC Name]
(4ξ)-2-Acétamido-2-désoxy-β-D-xylo-hexopyranosyl-(1->4)-[(4ξ)-D-xylo-hexopyranosyl-(1->2)-D-glucopyranosyl-(1->6)-(4ξ)-2-acétamido-2-désoxy-D-ribo-hexopyranosyl-(1->2)]-α-D-xylopyranoside de 
 (3β,5α)-25-hydroxy-4,4-diméthyl-23-oxocholest-8-én-3-yle [French] [ACD/IUPAC Name]
Cholest-8-en-23-one, 3-[[O(4ξ)-2-(acetylamino)-2-deoxy-β-D-xylo-hexopyranosyl-(1->4)-O-[O(4ξ)-D-xylo-hexopyranosyl-(1->2)-O-D-glucopyranosyl-(1->6)-(4ξ)-2-(acetylamino)-2-deoxy-D-ribo-hexopyrano 
syl-(1->2)]-α-D-xylopyranosyl]oxy]-25-hydroxy-4,4-dimethyl-, (3β,5α)- [ACD/Index Name]
sarasinoside J

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.623
Molar Refractivity: 316.2±0.4 cm3
#H bond acceptors: 29
#H bond donors: 16
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.68
ACD/KOC (pH 5.5): 135.37
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 6.68
ACD/KOC (pH 7.4): 135.37
Polar Surface Area: 451 Å2
Polarizability: 125.3±0.5 10-24cm3
Surface Tension: 78.4±5.0 dyne/cm
Molar Volume: 896.9±5.0 cm3

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