Found 4 results

Search term: MF = 'C_{17}H_{26}N_{6}O_{14}P_{2}'
ChemSpider 2D Image | (8R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]-3,5,8-trihydroxy-10-methyl-9-oxo-2,4,6-trioxa-11-aza-3,5-diphosphatridecan-13-oic acid 3,5-dioxide (non-preferred nam e) | C17H26N6O14P2

(8R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]-3,5,8-trihydroxy-10-methyl-9-oxo-2,4,6-trioxa-11-aza-3,5-diphosphatridecan-13-oic acid 3,5-dioxide (non-preferred nam e)

  • Molecular FormulaC17H26N6O14P2
  • Average mass600.368 Da
  • Monoisotopic mass600.098206 Da
  • ChemSpider ID61709813

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(3R,5R,8R,10S)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]-3,5,8-trihydroxy-10-methyl-9-oxo-2,4,6-trioxa-11-aza-3,5-diphosphatridecan-13-oic acid 3,5-dioxide (non-pre ferred name) [ACD/IUPAC Name]
(3R,5R,8R,10S)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]-3,5,8-trihydroxy-10-methyl-9-oxo-2,4,6-trioxa-11-aza-3,5-diphosphatridecan-13-säure-3,5-dioxid (non-preferr ed name) [German] [ACD/IUPAC Name]
(8R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]-3,5,8-trihydroxy-10-methyl-9-oxo-2,4,6-trioxa-11-aza-3,5-diphosphatridecan-13-oic acid 3,5-dioxide (non-preferred nam e) [ACD/IUPAC Name]
(8R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]-3,5,8-trihydroxy-10-methyl-9-oxo-2,4,6-trioxa-11-aza-3,5-diphosphatridecan-13-säure-3,5-dioxid (non-preferred name) [German] [ACD/IUPAC Name]
Acide (3R,5R,8R,10S) 3,5-dioxyde de 1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]-3,5,8-trihydroxy-10-méthyl-9-oxo-2,4,6-trioxa-11-aza-3,5-diphosphatridécan-13-oïque (n on-preferred name) [French] [ACD/IUPAC Name]
Acide (8R) 3,5-dioxyde de 1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]-3,5,8-trihydroxy-10-méthyl-9-oxo-2,4,6-trioxa-11-aza-3,5-diphosphatridécan-13-oïque (non-preferr ed name) [French] [ACD/IUPAC Name]
2-[(E)-[(4r)-5-[[[(2r,3s,4r,5r)-5-(6-Aminopurin-9-Yl)-3,4-Bis(Oxidanyl)oxolan-2-Yl]methoxy-Oxidanyl-Phosphoryl]oxy-Oxidanyl-Phosphoryl]oxy-4-Oxidanyl-3-Oxidanylidene-Pentan-2-Ylidene]amino]ethanoic Acid
48H

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

Density: 2.1±0.1 g/cm3
Boiling Point: 973.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.6±3.0 kJ/mol
Flash Point: 542.8±37.1 °C
Index of Refraction: 1.773
Molar Refractivity: 118.9±0.5 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -1.50
ACD/LogD (pH 5.5): -7.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 328 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 116.4±7.0 dyne/cm
Molar Volume: 285.3±7.0 cm3

Click to predict properties on the Chemicalize site


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