ChemSpider 2D Image | Sodium (3beta,8xi,12alpha)-12,17-dihydroxy-18,22-dioxo-18,20-epoxylanost-9(11)-en-3-yl 3-O-methyl-beta-D-allopyranosyl-(1->3)-beta-D-allopyranosyl-(1->4)-6-deoxy-beta-D-allopyranosyl-(1->2)-4-O-sulfon ato-beta-D-ribopyranoside | C54H85NaO27S

Sodium (3β,8ξ,12α)-12,17-dihydroxy-18,22-dioxo-18,20-epoxylanost-9(11)-en-3-yl 3-O-methyl-β-D-allopyranosyl-(1->3)-β-D-allopyranosyl-(1->4)-6-deoxy-β-D-allopyranosyl-(1->2)-4-O-sulfon ato-β-D-ribopyranoside

  • Molecular FormulaC54H85NaO27S
  • Average mass1221.291 Da
  • Monoisotopic mass1220.489624 Da
  • ChemSpider ID28285450

  • Charge - Charge

    defined stereocentres - 27 of 28 defined stereocentres

More details:

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

3-O-Méthyl-β-D-allopyranosyl-(1->3)-β-D-allopyranosyl-(1->4)-6-désoxy-β-D-allopyranosyl-(1->2)-4-O-sulfonato-β-D-ribopyranoside de (3β,8ξ,12α)-12,17-dihydroxy-18,22-dioxo-18,20-épo
 xylanost-9(11)-én-3-yle et de sodium [French] [ACD/IUPAC Name]
Lanost-9(11)-ene-18,22-dione, 18,20-epoxy-12,17-dihydroxy-3-[[O-3-O-methyl-β-D-allopyranosyl-(1->3)-O-β-D-allopyranosyl-(1->4)-O-6-deoxy-β-D-allopyranosyl-(1->2)-4-O-sulfo-β-D-ribopyranosy l]oxy]-, sodium salt, (3β,8ξ,12α)- (1:1) [ACD/Index Name]
Natrium-(3β,8ξ,12α)-12,17-dihydroxy-18,22-dioxo-18,20-epoxylanost-9(11)-en-3-yl-3-O-methyl-β-D-allopyranosyl-(1->3)-β-D-allopyranosyl-(1->4)-6-desoxy-β-D-allopyranosyl-(1->2)-4-O-sulf onato-β-D-ribopyranosid [German] [ACD/IUPAC Name]
Sodium (3β,8ξ,12α)-12,17-dihydroxy-18,22-dioxo-18,20-epoxylanost-9(11)-en-3-yl 3-O-methyl-β-D-allopyranosyl-(1->;3)-β-D-allopyranosyl-(1->4)-6-deoxy-β-D-allopyranosyl-(1->2)-4-O-sulfon ato-β-D-ribopyranoside [ACD/IUPAC Name]
17-hydroxy fuscocineroside B

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 27
#H bond donors: 11
#Freely Rotating Bonds: 30
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 410 Å2
Polarizability:
Surface Tension:
Molar Volume:

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