ChemSpider 2D Image | N~2~-(4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)-N~5~-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-ornithine | C32H36N10O5S

N2-(4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)-N5-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-ornithine

  • Molecular FormulaC32H36N10O5S
  • Average mass672.757 Da
  • Monoisotopic mass672.259094 Da
  • ChemSpider ID118460

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Ornithine, N2-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-N5-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]- [ACD/Index Name]
N2-(4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)-N5-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-ornithin [German] [ACD/IUPAC Name]
N2-(4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)-N5-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-ornithine [ACD/IUPAC Name]
N2-(4-{[(2,4-Diamino-6-ptéridinyl)méthyl](méthyl)amino}benzoyl)-N5-{[5-(diméthylamino)-1-naphtyl]sulfonyl}-L-ornithine [French] [ACD/IUPAC Name]
(2S)-2-[(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}PHENYL)FORMAMIDO]-5-[5-(DIMETHYLAMINO)NAPHTHALENE-1-SULFONAMIDO]PENTANOIC ACID
83966-27-2 [RN]
Apa-orn-dns
L-Ornithine, N2-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-N5-((5-(dimethylamino)-1-naphthalenyl)sulfonyl)-
N-α-(4-Amino-4-deoxy-N(10)-methylpteroyl)-N(δ)-(5-(N,N-dimethylamino)-1-naphthalenesulfonyl)ornithine

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.703
Molar Refractivity: 181.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.44
ACD/LogD (pH 7.4): -0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 231 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 82.4±3.0 dyne/cm
Molar Volume: 468.2±3.0 cm3

Click to predict properties on the Chemicalize site


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