ChemSpider 2D Image | (4-Hydroxymaltosephenyl)Glycine | C20H29NO13

(4-Hydroxymaltosephenyl)Glycine

  • Molecular FormulaC20H29NO13
  • Average mass491.443 Da
  • Monoisotopic mass491.163879 Da
  • ChemSpider ID26329784

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2S)-Amino(4-{[2-O-(β-L-glucopyranosyl)-β-L-mannopyranosyl]oxy}phenyl)acetic acid [ACD/IUPAC Name]
(2S)-Amino(4-{[2-O-(β-L-glucopyranosyl)-β-L-mannopyranosyl]oxy}phenyl)essigsäure [German] [ACD/IUPAC Name]
(4-Hydroxymaltosephenyl)Glycine
Acide (2S)-amino(4-{[2-O-(β-L-glucopyranosyl)-β-L-mannopyranosyl]oxy}phényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-amino-4-[(2-O-β-L-glucopyranosyl-β-L-mannopyranosyl)oxy]-, (αS)- [ACD/Index Name]
(2S)-2-amino-2-(4-{[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}phenyl)acetic acid
(S)-amino(4-{[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}phenyl)acetic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 831.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.7±3.0 kJ/mol
Flash Point: 456.9±34.3 °C
Index of Refraction: 1.682
Molar Refractivity: 110.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -2.99
ACD/LogD (pH 5.5): -5.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 242 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 105.8±5.0 dyne/cm
Molar Volume: 291.2±5.0 cm3

Click to predict properties on the Chemicalize site


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