ChemSpider 2D Image | Porphyra 334 | C14H22N2O8

Porphyra 334

  • Molecular FormulaC14H22N2O8
  • Average mass346.333 Da
  • Monoisotopic mass346.137604 Da
  • ChemSpider ID29390215

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(E)-N-[(5S)-3-[(Carboxymethyl)amino]-5-hydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-yliden]-L-threonin [German] [ACD/IUPAC Name]
(E)-N-[(5S)-3-[(Carboxymethyl)amino]-5-hydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-ylidene]-L-threonine [ACD/IUPAC Name]
(E)-N-[(5S)-3-[(Carboxyméthyl)amino]-5-hydroxy-5-(hydroxyméthyl)-2-méthoxy-2-cyclohexén-1-ylidène]-L-thréonine [French] [ACD/IUPAC Name]
70579-26-9 [RN]
L-Threonine, N-[(5S)-3-[(carboxymethyl)amino]-5-hydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-ylidene]-, (E)- [ACD/Index Name]
Porphyra 334
Porphyra-334
(2S,3R)-2-[[(5R)-3-(carboxymethylimino)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohexen-1-yl]amino]-3-hydroxybutanoic acid

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

9KIR0IH75D [DBID]
UNII:9KIR0IH75D [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 621.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.6±6.0 kJ/mol
Flash Point: 329.8±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 78.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.90
ACD/LogD (pH 5.5): -4.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 59.3±7.0 dyne/cm
Molar Volume: 230.0±7.0 cm3

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