ChemSpider 2D Image | [(7S,11S,15R,19R,22R,26R,30S,34S,43S,47S,51R,55R,58R,62R,66S,70S)-38-(Hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacontan-2-yl]methyl 6-O- beta-D-glucopyranosyl-beta-D-glucopyranoside | C98H192O16

[(7S,11S,15R,19R,22R,26R,30S,34S,43S,47S,51R,55R,58R,62R,66S,70S)-38-(Hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacontan-2-yl]methyl 6-O- β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC98H192O16
  • Average mass1626.563 Da
  • Monoisotopic mass1625.421021 Da
  • ChemSpider ID4534962

  • defined stereocentres - 26 of 28 defined stereocentres

More details:

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

[(7S,11S,15R,19R,22R,26R,30S,34S,43S,47S,51R,55R,58R,62R,66S,70S)-38-(Hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacontan-2-yl]methyl 6-O- ;β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
[(7S,11S,15R,19R,22R,26R,30S,34S,43S,47S,51R,55R,58R,62R,66S,70S)-38-(Hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacontan-2-yl]methyl-6-O- ;β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-β-D-glucopyranoside de [(7S,11S,15R,19R,22R,26R,30S,34S,43S,47S,51R,55R,58R,62R,66S,70S)-38-(hydroxyméthyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadécaméthyl-1 ,4,37,40-tétraoxacyclodoheptacontan-2-yl]méthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, [(7S,11S,15R,19R,22R,26R,30S,34S,43S,47S,51R,55R,58R,62R,66S,70S)-38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodohept acont-2-yl]methyl 6-O-β-D-glucopyranosyl- [ACD/Index Name]
Gentiobiosyl-caldarchaeol
Glcbeta1-6Glcbeta-caldarchaeol

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

C13874 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 1288.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 217.4±6.0 kJ/mol
Flash Point: 732.8±34.3 °C
Index of Refraction: 1.510
Molar Refractivity: 475.3±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 36.78
ACD/LogD (pH 5.5): 30.45
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 30.45
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 236 Å2
Polarizability: 188.4±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 1588.1±5.0 cm3

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