ChemSpider 2D Image | 1,4-Anhydro-2,5-dideoxy-2-{[(2-methoxyethyl)carbamoyl]amino}-5-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-L-arabinitol | C15H29N3O5

1,4-Anhydro-2,5-dideoxy-2-{[(2-methoxyethyl)carbamoyl]amino}-5-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-L-arabinitol

  • Molecular FormulaC15H29N3O5
  • Average mass331.408 Da
  • Monoisotopic mass331.210724 Da
  • ChemSpider ID65059512

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,4-Anhydro-2,5-dideoxy-2-{[(2-methoxyethyl)carbamoyl]amino}-5-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-L-arabinitol [ACD/IUPAC Name]
1,4-Anhydro-2,5-didesoxy-2-{[(2-methoxyethyl)carbamoyl]amino}-5-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-L-arabinitol [German] [ACD/IUPAC Name]
1,4-Anhydro-2,5-didésoxy-2-{[(2-méthoxyéthyl)carbamoyl]amino}-5-[(2R)-2-(méthoxyméthyl)-1-pyrrolidinyl]-L-arabinitol [French] [ACD/IUPAC Name]
L-Arabinitol, 1,4-anhydro-2,5-dideoxy-2-[[[(2-methoxyethyl)amino]carbonyl]amino]-5-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 538.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.8±6.0 kJ/mol
Flash Point: 279.4±30.1 °C
Index of Refraction: 1.532
Molar Refractivity: 85.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -1.41
ACD/LogD (pH 5.5): -3.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 275.5±5.0 cm3

Click to predict properties on the Chemicalize site


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