(aR,bS)-rel-alpha-H...

(aR,bS)-rel-alpha-Hydroxy-beta-[[(phenylmethoxy)carbonyl]amino]benzenebutanoic acid

(aR,bS)-rel-alpha-Hydroxy-beta-[[(phenylmethoxy)carbonyl]amino]benzenebutanoic acid

Min.Order / FOB Price:Get Latest Price

0 Metric Ton

Negotiable

  • Min.Order :0 Metric Ton
  • Purity: 99
  • Payment Terms : T/T

Keywords

Benzenebutanoic acid, alpha-hydroxy-beta-[[(phenylmethoxy)carbonyl]amino]-, (alphaS,betaR)- Benzenebutanoic acid, alpha-hydroxy-beta-[[(phenylmethoxy)carbonyl]amino]-, (alphaS,betaR)- Benzenebutanoic acid, alpha-hydroxy-beta-[[(phenylmethoxy)carbonyl]amino]-, (alphaS,betaR)-

Quick Details

  • Appearance:
  • Application:The Systematic name of (aR,bS)-rel-alpha-Hydroxy-beta-[[(phenylmethoxy)carbonyl]amino]benzenebutanoic acid is (2S,3R)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-4-phenylbutanoic acid. With the CAS regis
  • PackAge:
  • ProductionCapacity:|Metric Ton|Day
  • Storage:
  • Transportation:The Systematic name of (aR,bS)-rel-alpha-Hydroxy-beta-[[(phenylmethoxy)carbonyl]amino]benzenebutanoic acid is (2S,3R)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-4-phenylbutanoic acid. With the CAS regis

Superiority:

The Systematic name of (aR,bS)-rel-alpha-Hydroxy-beta-[[(phenylmethoxy)carbonyl]amino]benzenebutanoic acid is (2S,3R)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-4-phenylbutanoic acid. With the CAS registry number 76498-22-1, it is also named as Benzenebutanoic acid, alpha-hydroxy-beta-[[(phenylmethoxy)carbonyl]amino]-, (alphaS,betaR)-. The product's Molecular Formula is C18H19NO5 and its Molecular Weight is 329.35.

The other characteristics of (aR,bS)-rel-alpha-Hydroxy-beta-[[(phenylmethoxy)carbonyl]amino]benzenebutanoic acid can be summarized as: (1)ACD/LogP: 2.52 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 1 ; (4)ACD/LogD (pH 7.4): 0 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 8 ; (8)ACD/KOC (pH 7.4): 1 ; (9)#H bond acceptors: 6 ; (10)#H bond donors: 3 ; (11)#Freely Rotating Bonds: 9 ; (12)Index of Refraction: 1.602 ; (13)Molar Refractivity: 87.207 cm; (14)Molar Volume: 254.162 cm; (15)Surface Tension: 57.912 dyne/cm ; (16) Density: 1.296 g/cm3 ; (17)Flash Point: 305.705 °C ; (18)Enthalpy of Vaporization: 91.515 kJ/mol ; (19)Boiling Point: 581.871 °C at 760 mmHg ; (20) Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:OC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2; 
(2)InChI:InChI=1/C18H19NO5/c20-16(17(21)22)15(11-13-7-3-1-4-8-13)19-18(23)24-12-14-9-5-2-6-10-14/h1-10,15-16,20H,11-12H2,(H,19,23)(H,21,22)/t15-,16+/m1/s1; 
(3)InChIKey:JXJYTERRLRAUSF-CVEARBPZBC; 
(4)Std. InChI:InChI=1S/C18H19NO5/c20-16(17(21)22)15(11-13-7-3-1-4-8-13)19-18(23)24-12-14-9-5-2-6-10-14/h1-10,15-16,20H,11-12H2,(H,19,23)(H,21,22)/t15-,16+/m1/s1; 
(5)Std. InChIKey:JXJYTERRLRAUSF-CVEARBPZSA-N.

Details:

The Systematic name of (aR,bS)-rel-alpha-Hydroxy-beta-[[(phenylmethoxy)carbonyl]amino]benzenebutanoic acid is (2S,3R)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-4-phenylbutanoic acid. With the CAS registry number 76498-22-1, it is also named as Benzenebutanoic acid, alpha-hydroxy-beta-[[(phenylmethoxy)carbonyl]amino]-, (alphaS,betaR)-. The product's Molecular Formula is C18H19NO5 and its Molecular Weight is 329.35.

The other characteristics of (aR,bS)-rel-alpha-Hydroxy-beta-[[(phenylmethoxy)carbonyl]amino]benzenebutanoic acid can be summarized as: (1)ACD/LogP: 2.52 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 1 ; (4)ACD/LogD (pH 7.4): 0 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 8 ; (8)ACD/KOC (pH 7.4): 1 ; (9)#H bond acceptors: 6 ; (10)#H bond donors: 3 ; (11)#Freely Rotating Bonds: 9 ; (12)Index of Refraction: 1.602 ; (13)Molar Refractivity: 87.207 cm; (14)Molar Volume: 254.162 cm; (15)Surface Tension: 57.912 dyne/cm ; (16) Density: 1.296 g/cm3 ; (17)Flash Point: 305.705 °C ; (18)Enthalpy of Vaporization: 91.515 kJ/mol ; (19)Boiling Point: 581.871 °C at 760 mmHg ; (20) Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:OC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2; 
(2)InChI:InChI=1/C18H19NO5/c20-16(17(21)22)15(11-13-7-3-1-4-8-13)19-18(23)24-12-14-9-5-2-6-10-14/h1-10,15-16,20H,11-12H2,(H,19,23)(H,21,22)/t15-,16+/m1/s1; 
(3)InChIKey:JXJYTERRLRAUSF-CVEARBPZBC; 
(4)Std. InChI:InChI=1S/C18H19NO5/c20-16(17(21)22)15(11-13-7-3-1-4-8-13)19-18(23)24-12-14-9-5-2-6-10-14/h1-10,15-16,20H,11-12H2,(H,19,23)(H,21,22)/t15-,16+/m1/s1; 
(5)Std. InChIKey:JXJYTERRLRAUSF-CVEARBPZSA-N.

Related Searches

Confirm to collect the product to my collection?

OKCancel

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View