ChemSpider 2D Image | (2R,4R,5S,6S)-3-[(3-Carbamimidamido-2-{[(methylamino)acetyl]amino}propanoyl)amino]-4,5-dihydroxy-6-(4-imino-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2H-pyran-2-carboximidic acid (non-preferred n ame) | C17H28N10O7

(2R,4R,5S,6S)-3-[(3-Carbamimidamido-2-{[(methylamino)acetyl]amino}propanoyl)amino]-4,5-dihydroxy-6-(4-imino-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2H-pyran-2-carboximidic acid (non-preferred n ame)

  • Molecular FormulaC17H28N10O7
  • Average mass484.467 Da
  • Monoisotopic mass484.214233 Da
  • ChemSpider ID68026525

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(2R,4R,5S,6S)-3-[(3-Carbamimidamido-2-{[(methylamino)acetyl]amino}propanoyl)amino]-4,5-dihydroxy-6-(4-imino-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2H-pyran-2-carboximidic acid (non-preferred n ame) [ACD/IUPAC Name]
(2R,4R,5S,6S)-3-[(3-Carbamimidamido-2-{[(methylamino)acetyl]amino}propanoyl)amino]-4,5-dihydroxy-6-(4-imino-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2H-pyran-2-carboximidsäure (non-preferred nam e) [German] [ACD/IUPAC Name]
Acide (2R,4R,5S,6S)-3-[(3-carbamimidamido-2-{[2-(méthylamino)acétyl]amino}propanoyl)amino]-4,5-dihydroxy-6-(4-imino-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-2H-pyrane-2-carboximidique (non-prefe rred name) [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.781
Molar Refractivity: 109.0±0.5 cm3
#H bond acceptors: 17
#H bond donors: 13
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -4.22
ACD/LogD (pH 5.5): -9.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 282 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 93.9±7.0 dyne/cm
Molar Volume: 259.7±7.0 cm3

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