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Search term: AYUIRPIPSPPXAA (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (2R,5S)-5-[(Carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(2-furyl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | C16H18N4O9S

(2R,5S)-5-[(Carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(2-furyl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

  • Molecular FormulaC16H18N4O9S
  • Average mass442.401 Da
  • Monoisotopic mass442.079437 Da
  • ChemSpider ID35035269
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2R,5S)-5-[(Carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(2-furyl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazin-4-carbonsäure [German] [ACD/IUPAC Name]
(2R,5S)-5-[(Carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(2-furyl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid [ACD/IUPAC Name]
(2r,5s)-5-[(Carbamoyloxy)methyl]-2-[(R)-Carboxy{[(2z)-2-(Furan-2-Yl)-2-(Methoxyimino)acetyl]amino}methyl]-5,6-Dihydro-2h-1,3-Thiazine-4-Carboxylic Acid
2H-1,3-Thiazine-2-acetic acid, 5-[[(aminocarbonyl)oxy]methyl]-4-carboxy-α-[[(2Z)-2-(2-furanyl)-2-(methoxyimino)-1-oxoethyl]amino]-5,6-dihydro-, (αR,2R,5S)- [ACD/Index Name]
Acide (2R,5S)-5-[(carbamoyloxy)méthyl]-2-[(R)-carboxy{[(2Z)-2-(2-furyl)-2-(méthoxyimino)acétyl]amino}méthyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylique [French] [ACD/IUPAC Name]
3S0

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.686
Molar Refractivity: 99.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -0.26
ACD/LogD (pH 5.5): -3.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 73.2±7.0 dyne/cm
Molar Volume: 260.7±7.0 cm3

Click to predict properties on the Chemicalize site






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