ChemSpider 2D Image | PTEROPTERIN METHYL ESTER | C30H35N9O12

PTEROPTERIN METHYL ESTER

  • Molecular FormulaC30H35N9O12
  • Average mass713.652 Da
  • Monoisotopic mass713.240540 Da
  • ChemSpider ID32700109

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6S,11S,16S)-18-(4-{[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl]amino}phenyl)-3,8,13,18-tetraoxo-2-oxa-7,12,17-triazaoctadecan-6,11,16-tricarbonsäure [German] [ACD/IUPAC Name]
(6S,11S,16S)-18-(4-{[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl]amino}phenyl)-3,8,13,18-tetraoxo-2-oxa-7,12,17-triazaoctadecane-6,11,16-tricarboxylic acid [ACD/IUPAC Name]
12002-01-6 [RN]
Acide (6S,11S,16S)-18-(4-{[(2-amino-4-oxo-1,4-dihydro-6-ptéridinyl)méthyl]amino}phényl)-3,8,13,18-tétraoxo-2-oxa-7,12,17-triazaoctadécane-6,11,16-tricarboxylique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[(2-amino-4-hydroxy-6-pteridinyl)methyl]amino]benzoyl]-L-γ-glutamyl-L-γ-glutamyl-, 5-methyl ester [ACD/Index Name]
PTEROPTERIN METHYL ESTER

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

KSG13J9T4L [DBID]
UNII:KSG13J9T4L [DBID]
UNII-KSG13J9T4L [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 173.4±0.3 cm3
#H bond acceptors: 21
#H bond donors: 10
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -3.02
ACD/LogD (pH 5.5): -7.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 335 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 86.0±3.0 dyne/cm
Molar Volume: 465.6±3.0 cm3

Click to predict properties on the Chemicalize site


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