ChemSpider 2D Image | (4S)-4-[(Z)-{(4S)-4-[(4-{[(2-Amino-4-oxido-6-pteridinyl)methyl]amino}benzoyl)amino]-4-carboxy-1-oxidanidylbutylidene}amino]-4-carboxybutanoate | C24H23N8O9

(4S)-4-[(Z)-{(4S)-4-[(4-{[(2-Amino-4-oxido-6-pteridinyl)methyl]amino}benzoyl)amino]-4-carboxy-1-oxidanidylbutylidene}amino]-4-carboxybutanoate

  • Molecular FormulaC24H23N8O9
  • Average mass567.489 Da
  • Monoisotopic mass567.160461 Da
  • ChemSpider ID30777459
  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4S)-4-[(Z)-{(4S)-4-[(4-{[(2-Amino-4-oxido-6-pteridinyl)methyl]amino}benzoyl)amino]-4-carboxy-1-oxidanidylbutylidene}amino]-4-carboxybutanoate [ACD/IUPAC Name]
(4S)-4-[(Z)-{(4S)-4-[(4-{[(2-Amino-4-oxydo-6-ptéridinyl)méthyl]amino}benzoyl)amino]-4-carboxy-1-oxydanidylbutylidène}amino]-4-carboxybutanoate [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[(4S)-4-carboxy-4-[[4-[[(1,2-dihydro-4-hydroxy-2-imino-6-pteridinyl)methyl]amino]benzoyl]amino]-1-hydroxybutylidene]-, ion(3-), (Z)- [ACD/Index Name]
(4S)-4-carboxy-4-{[(4S)-4-carboxy-4-[(4-{[(2-imino-4-oxido-1,2-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]-1-oxidobutylidene]amino}butanoate
pteroyl-α-glutamylglutamate
Pteroyl-α-glutamylglutamic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
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Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -2.77
ACD/LogD (pH 5.5): -7.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 288 Å2
Polarizability:
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