PLANNED MAINTENANCE

There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.


ChemSpider 2D Image | N-[(1-{[10-(3-Amino-3-oxopropyl)-7-(2-ammonio-2-oxoethyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-2-pyrrolidinyl)carbonyl]-5-{[a
mmonio(imino)methyl]amino}-1-[(2-ammonio-2-oxoethyl)amino]-1-oxo-2-pentanaminium | C46H68N14O12S2

N-[(1-{[10-(3-Amino-3-oxopropyl)-7-(2-ammonio-2-oxoethyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-2-pyrrolidinyl)carbonyl]-5-{[a mmonio(imino)methyl]amino}-1-[(2-ammonio-2-oxoethyl)amino]-1-oxo-2-pentanaminium

  • Molecular FormulaC46H68N14O12S2
  • Average mass1073.246 Da
  • Monoisotopic mass1072.456055 Da
  • ChemSpider ID21234303
  • Charge - Charge


More details:






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

Glycinamide, 1-[[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentaazacycloeicos-4-yl]carbonyl]prolylarg inyl-, conjugate tetraacid [ACD/Index Name]
N-[(1-{[10-(3-Amino-3-oxopropyl)-7-(2-ammonio-2-oxoethyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-2-pyrrolidinyl)carbonyl]-5-{[a mmonio(imino)methyl]amino}-1-[(2-ammonio-2-oxoethyl)amino]-1-oxo-2-pentanaminium [ACD/IUPAC Name]
N-[(1-{[10-(3-Amino-3-oxopropyl)-7-(2-ammonio-2-oxoethyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-2-pyrrolidinyl)carbonyl]-5-{[a mmonio(imino)methyl]amino}-1-[(2-ammonio-2-oxoethyl)amino]-1-oxo-2-pentanaminium [German] [ACD/IUPAC Name]
N-[(1-{[10-(3-Amino-3-oxopropyl)-7-(2-ammonio-2-oxoéthyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-2-pyrrolidinyl)carbonyl]-5-{[a mmonio(imino)méthyl]amino}-1-[(2-ammonio-2-oxoéthyl)amino]-1-oxo-2-pentanaminium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 1350.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 213.6±3.0 kJ/mol
Flash Point: 770.6±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 26
#H bond donors: 18
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -4.47
ACD/LogD (pH 5.5): -8.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 520 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






Advertisement