Found 7 results

Search term: MF = 'C_{31}H_{53}N_{7}O_{8}'
ChemSpider 2D Image | N-(5-Amino-1,1-dihydroxy-5-oxo-1-penten-2-yl)-1-[(1Z)-1-hydroxy-2-{[(1-{(1Z)-1-hydroxy-2-[(1-hydroxy-2-imino-3-methylbutyl)amino]-4-methyl-1-penten-1-yl}-2-pyrrolidinyl)carbonyl]amino}-3-methyl-1-bute n-1-yl]-2-pyrrolidinecarboxamide (non-preferred name) | C31H53N7O8

N-(5-Amino-1,1-dihydroxy-5-oxo-1-penten-2-yl)-1-[(1Z)-1-hydroxy-2-{[(1-{(1Z)-1-hydroxy-2-[(1-hydroxy-2-imino-3-methylbutyl)amino]-4-methyl-1-penten-1-yl}-2-pyrrolidinyl)carbonyl]amino}-3-methyl-1-bute n-1-yl]-2-pyrrolidinecarboxamide (non-preferred name)

  • Molecular FormulaC31H53N7O8
  • Average mass651.795 Da
  • Monoisotopic mass651.395569 Da
  • ChemSpider ID95640610

More details:

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

2-Pyrrolidinecarboxamide, N-[4-amino-1-(dihydroxymethylene)-4-oxobutyl]-1-[(1Z)-1-hydroxy-2-[[[1-[(1Z)-1-hydroxy-2-[(1-hydroxy-2-imino-3-methylbutyl)amino]-4-methyl-1-penten-1-yl]-2-pyrrolidinyl]carbo nyl]amino]-3-methyl-1-buten-1-yl]- [ACD/Index Name]
N-(5-Amino-1,1-dihydroxy-5-oxo-1-penten-2-yl)-1-[(1Z)-1-hydroxy-2-{[(1-{(1Z)-1-hydroxy-2-[(1-hydroxy-2-imino-3-methylbutyl)amino]-4-methyl-1-penten-1-yl}-2-pyrrolidinyl)carbonyl]amino}-3-methyl-1-bute n-1-yl]-2-pyrrolidincarboxamid (non-preferred name) [German] [ACD/IUPAC Name]
N-(5-Amino-1,1-dihydroxy-5-oxo-1-penten-2-yl)-1-[(1Z)-1-hydroxy-2-{[(1-{(1Z)-1-hydroxy-2-[(1-hydroxy-2-imino-3-methylbutyl)amino]-4-methyl-1-penten-1-yl}-2-pyrrolidinyl)carbonyl]amino}-3-methyl-1-bute n-1-yl]-2-pyrrolidinecarboxamide (non-preferred name) [ACD/IUPAC Name]
N-(5-Amino-1,1-dihydroxy-5-oxo-1-pentén-2-yl)-1-[(1Z)-1-hydroxy-2-{[(1-{(1Z)-1-hydroxy-2-[(1-hydroxy-2-imino-3-méthylbutyl)amino]-4-méthyl-1-pentén-1-yl}-2-pyrrolidinyl)carbonyl]amino}-3-méthyl-1-buté n-1-yl]-2-pyrrolidinecarboxamide (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 982.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 162.3±6.0 kJ/mol
Flash Point: 547.8±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 166.9±0.5 cm3
#H bond acceptors: 15
#H bond donors: 11
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.93
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 2.75
ACD/KOC (pH 7.4): 38.03
Polar Surface Area: 245 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 475.7±7.0 cm3

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