ChemSpider 2D Image | (14xi)-Solanid-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-alpha-L-mannopyranosyl-(1->4)]-(4xi)-beta-D-xylo-hexopyranoside | C45H73NO14

(14ξ)-Solanid-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyranosyl-(1->4)]-(4ξ)-β-D-xylo-hexopyranoside

  • Molecular FormulaC45H73NO14
  • Average mass852.059 Da
  • Monoisotopic mass851.503113 Da
  • ChemSpider ID94561

  • defined stereocentres - 23 of 26 defined stereocentres

More details:

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

(14ξ)-Solanid-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->;2)-[6-deoxy-α-L-mannopyranosyl-(1->;4)]-(4ξ)-β-D-xylo-hexopyranoside [ACD/IUPAC Name]
(14ξ)-Solanid-5-en-3-yl-6-deoxy-α-L-mannopyranosyl-(1->;2)-[6-deoxy-α-L-mannopyranosyl-(1->;4)]-(4ξ)-β-D-xylo-hexopyranoside
(14ξ)-Solanid-5-en-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-[6-desoxy-α-L-mannopyranosyl-(1->4)]-(4ξ)-β-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
(2S,3R,4R,5R,6S,2'S,3'R,4'R,5'R,6'S)-2,2'-{[(2R,4S,5R,6R)-4-Hydroxy-2-(hydroxymethyl)-6-{[(4aR,4bS,6aS,6bR,7S,7aR,10S,12aS,13bS)-4a,6a,7,10-tetramethyl-2,3,4,4a,4b,5,6,6a,6b,7,7a,8,9,10,11,12a,13,13a,13b,14-icosahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]indolizin-2-yl]oxy}tetrahydro-2H-pyran-3,5-diyl]bis(oxy)}bis(6-methyltetrahydro-2H-pyran-3,4,5-triol)
6-Désoxy-α-L-mannopyranosyl-(1->2)-[6-désoxy-α-L-mannopyranosyl-(1->4)]-(4ξ)-β-D-xylo-hexopyranoside de (14ξ)-solanid-5-én-3-yle
6-Désoxy-α-L-mannopyranosyl-(1->2)-[6-désoxy-α-L-mannopyranosyl-(1->4)]-(4ξ)-β-D-xylo-hexopyranoside de (14ξ)-solanid-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-xylo-Hexopyranoside, (14ξ)-solanid-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[6-deoxy-α-L-mannopyranosyl-(1->4)]-, (4ξ)- [ACD/Index Name]
11017-45-1 [RN]
125-97-3 [RN]
20562-02-1 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 0077396 [DBID]
BRN 0077607 [DBID]
CCRIS 6507 [DBID]
CCRIS 6509 [DBID]
HSDB 3539 [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.622
Molar Refractivity: 217.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 8.50
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 22.02
ACD/KOC (pH 5.5): 41.86
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 23.88
ACD/KOC (pH 7.4): 45.39
Polar Surface Area: 220 Å2
Polarizability: 86.3±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 618.6±5.0 cm3

Click to predict properties on the Chemicalize site


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