ChemSpider 2D Image | 1-{[3-({2-[(4-Azido-2-hydroxybenzoyl)amino]ethyl}disulfanyl)propanoyl]oxy}-2,5-dioxo-3-pyrrolidinesulfonic acid | C16H18N5O9S3

1-{[3-({2-[(4-Azido-2-hydroxybenzoyl)amino]ethyl}disulfanyl)propanoyl]oxy}-2,5-dioxo-3-pyrrolidinesulfonic acid

  • Molecular FormulaC16H18N5O9S3
  • Average mass519.529 Da
  • Monoisotopic mass519.018860 Da
  • ChemSpider ID2299947

More details:

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

1-{[3-({2-[(4-Azido-2-hydroxybenzoyl)amino]ethyl}disulfanyl)propanoyl]oxy}-2,5-dioxo-3-pyrrolidinesulfonic acid [ACD/IUPAC Name]
1-{[3-({2-[(4-Azido-2-hydroxybenzoyl)amino]ethyl}disulfanyl)propanoyl]oxy}-2,5-dioxo-3-pyrrolidinsulfonsäure [German] [ACD/IUPAC Name]
3-Pyrrolidinesulfonic acid, 1-[3-[[2-[(4-azido-2-hydroxybenzoyl)amino]ethyl]dithio]-1-oxopropoxy]-2,5-dioxo- [ACD/Index Name]
Acide 1-{[3-({2-[(4-azido-2-hydroxybenzoyl)amino]éthyl}disulfanyl)propanoyl]oxy}-2,5-dioxo-3-pyrrolidinesulfonique [French] [ACD/IUPAC Name]
1-{[3-({2-[(4-AZIDO-2-HYDROXYPHENYL)FORMAMIDO]ETHYL}DISULFANYL)PROPANOYL]OXY}-2,5-DIOXOPYRROLIDINE-3-SULFONIC ACID
103963-69-5 [RN]
3-Pyrrolidinesulfonic acid, 1-(3-((2-((4-azido-2-hydroxybenzoyl)amino)ethyl)dithio)-1-oxopropoxy)-2,5-dioxo-
98897-08-6 [RN]
SASDP
Sulfosuccinimidyl 2-(4-azidosalicylamido)ethyl-1,3'-dithiopropionate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 0.37
ACD/LogD (pH 5.5): -3.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 239 Å2
Polarizability:
Surface Tension:
Molar Volume:

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