Found 1 result

Search term: MF = 'C_{16}H_{19}BrN_{5}O_{12}P_{2}S'
ChemSpider 2D Image | 5-[(4-Bromo-2,3-dioxobutyl)sulfanyl]-3-(2,5-di-O-phosphono-D-ribofuranosyl)-3,9-dihydroimidazo[2,1-i]purin-6-ium | C16H19BrN5O12P2S

5-[(4-Bromo-2,3-dioxobutyl)sulfanyl]-3-(2,5-di-O-phosphono-D-ribofuranosyl)-3,9-dihydroimidazo[2,1-i]purin-6-ium

  • Molecular FormulaC16H19BrN5O12P2S
  • Average mass647.264 Da
  • Monoisotopic mass645.940369 Da
  • ChemSpider ID4589184

  • Charge - Charge

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

5-[(4-Brom-2,3-dioxobutyl)sulfanyl]-3-(2,5-di-O-phosphono-D-ribofuranosyl)-3,9-dihydroimidazo[2,1-i]purin-6-ium [German] [ACD/IUPAC Name]
5-[(4-Bromo-2,3-dioxobutyl)sulfanyl]-3-(2,5-di-O-phosphono-D-ribofuranosyl)-3,9-dihydroimidazo[2,1-i]purin-6-ium [ACD/IUPAC Name]
5-[(4-Bromo-2,3-dioxobutyl)sulfanyl]-3-(2,5-di-O-phosphono-D-ribofuranosyl)-3,9-dihydroimidazo[2,1-i]purin-6-ium [French] [ACD/IUPAC Name]
Imidazo[2,1-i]purin-6-ium, 5-[(4-bromo-2,3-dioxobutyl)thio]-3-(2,5-di-O-phosphono-D-ribofuranosyl)-3,9-dihydro- [ACD/Index Name]
(8,8'-Bi-1H-Naphtho(2,3-c)pyran)-1,1',6,6',9,9'-hexone, 7-amino-3,3',4,4'-tetrahydro-7',10,10'-trihydroxy-3,3'-dimethyl-, (R-(R*,R*))-
98296-22-1 [RN]
Plastatin

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: 17
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 293 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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