Found 13 results

Search term: MF = 'C_{21}H_{32}O_{14}'
ChemSpider 2D Image | (2S,3S,4R,5R,6S)-6-{[(4aS,7aR)-7-(Hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy}-2-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro -2H-pyran-2,3,4,5-tetrol | C21H32O14

(2S,3S,4R,5R,6S)-6-{[(4aS,7aR)-7-(Hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy}-2-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro -2H-pyran-2,3,4,5-tetrol

  • Molecular FormulaC21H32O14
  • Average mass508.470 Da
  • Monoisotopic mass508.179199 Da
  • ChemSpider ID138359

  • defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(2S,3S,4R,5R,6S)-6-{[(4aS,7aR)-7-(Hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy}-2-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro -2H-pyran-2,3,4,5-tetrol [ACD/IUPAC Name]
(2S,3S,4R,5R,6S)-6-{[(4aS,7aR)-7-(Hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy}-2-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro -2H-pyran-2,3,4,5-tetrol [German] [ACD/IUPAC Name]
(2S,3S,4R,5R,6S)-6-{[(4aS,7aR)-7-(Hydroxyméthyl)-1,4a,5,7a-tétrahydrocyclopenta[c]pyran-1-yl]oxy}-2-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}méthyl)tétrahydro -2H-pyrane-2,3,4,5-tétrol [French] [ACD/IUPAC Name]
(2S,3S,4R,5R,6S)-6-{[(4AS,7AR)-7-(HYDROXYMETHYL)-1H,4AH,5H,7AH-CYCLOPENTA[C]PYRAN-1-YL]OXY}-2-({[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}METHYL)OXANE-2,3,4,5-TETROL
78392-84-4 [RN]
B-D-GLUCOPYRANOSIDE,(1S,4AR,5S,7AS)-1,4A,5,7A-TETRAHYDRO-5-HYDROXY-7-(HYDROXYMETHYL)CYCLOPENTA[C]PYRAN-1-YL6-O-B-D-GLUCOPYRANOSYL- (9CI)
β-D-Glucopyranoside, 1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl 6-O-β-D-glucopyranosyl-, (1S-(1α,4aα,5α,7aα))-

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

Density: 1.7±0.1 g/cm3
Boiling Point: 824.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.4±6.0 kJ/mol
Flash Point: 452.4±34.3 °C
Index of Refraction: 1.680
Molar Refractivity: 113.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.62
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.55
ACD/LogD (pH 7.4): -1.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.55
Polar Surface Area: 228 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 102.8±5.0 dyne/cm
Molar Volume: 298.8±5.0 cm3

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