ChemSpider 2D Image | (2R,3R,4S,5R,13R,14S,15R,16R)-24-Amino-3,4,10,14,15-pentahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8,10-diphosphapentacyclo[18.3.1.1~2,5~.1~13,16~.0~17,21~]hexacosa-1(24),18,20,22-tetraen -8-olate 8,10-dioxide | C15H21N5O13P2

(2R,3R,4S,5R,13R,14S,15R,16R)-24-Amino-3,4,10,14,15-pentahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8,10-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-1(24),18,20,22-tetraen -8-olate 8,10-dioxide

  • Molecular FormulaC15H21N5O13P2
  • Average mass541.300 Da
  • Monoisotopic mass541.061096 Da
  • ChemSpider ID58134551

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R,3R,4S,5R,13R,14S,15R,16R) 8,10-Dioxyde de 24-amino-3,4,10,14,15-pentahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8,10-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-1(24), 18,20,22-tétraén-8-olate [French] [ACD/IUPAC Name]
(2R,3R,4S,5R,13R,14S,15R,16R)-24-Amino-3,4,10,14,15-pentahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8,10-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-1(24),18,20,22-tetraen 
-8-olat-8,10-dioxid [German] [ACD/IUPAC Name]
(2R,3R,4S,5R,13R,14S,15R,16R)-24-Amino-3,4,10,14,15-pentahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8,10-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-1(24),18,20,22-tetraen 
-8-olate 8,10-dioxide [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3350989/

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: 18
#H bond donors: 8
#Freely Rotating Bonds: 5
#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: 285 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement