ChemSpider 2D Image | MALTOSYL-ALPHA (1,4)-(Z,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-PIPERIDIN-2-ONE OXIME | C18H32N2O15

MALTOSYL-α (1,4)-(Z,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-PIPERIDIN-2-ONE OXIME

  • Molecular FormulaC18H32N2O15
  • Average mass516.451 Da
  • Monoisotopic mass516.180298 Da
  • ChemSpider ID395512

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(2R,3R,4R,5S)-4,5-Dihydroxy-6-(hydroxyamino)-2-(hydroxymethyl)-2,3,4,5-tetrahydro-3-pyridinyl 4-O-α-D-glucopyranosyl-α-D-glucopyranoside [ACD/IUPAC Name]
(2R,3R,4R,5S)-4,5-Dihydroxy-6-(hydroxyamino)-2-(hydroxymethyl)-2,3,4,5-tetrahydro-3-pyridinyl-4-O-α-D-glucopyranosyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
4-O-α-D-Glucopyranosyl-α-D-glucopyranoside de (2R,3R,4R,5S)-4,5-dihydroxy-6-(hydroxyamino)-2-(hydroxyméthyl)-2,3,4,5-tétrahydro-3-pyridinyle [French] [ACD/IUPAC Name]
MALTOSYL-α (1,4)-(Z,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-PIPERIDIN-2-ONE OXIME
α-D-Glucopyranoside, (2R,3R,4R,5S)-2,3,4,5-tetrahydro-4,5-dihydroxy-6-(hydroxyamino)-2-(hydroxymethyl)-3-pyridinyl 4-O-α-D-glucopyranosyl- [ACD/Index Name]
L47
LAG
MALTOSYL-α (1,4)-D-GLUCONHYDROXIMO-1,5-LACTAM

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

Density: 2.1±0.1 g/cm3
Boiling Point: 898.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.2±6.0 kJ/mol
Flash Point: 496.9±37.1 °C
Index of Refraction: 1.753
Molar Refractivity: 98.9±0.5 cm3
#H bond acceptors: 17
#H bond donors: 12
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.47
ACD/LogD (pH 5.5): -5.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 284 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 99.3±7.0 dyne/cm
Molar Volume: 241.9±7.0 cm3

Click to predict properties on the Chemicalize site


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