Product Name

  • Name

    (S)-METHYL 4-(TERT-BUTOXYCARBONYLAMINO)-5-HYDROXYPENTANOATE

  • EINECS
  • CAS No. 126587-35-7
  • Article Data18
  • CAS DataBase
  • Density 1.105 g/cm3
  • Solubility
  • Melting Point 40.5-41.5 °C
  • Formula C11H21NO5
  • Boiling Point 374.918 °C at 760 mmHg
  • Molecular Weight 247.291
  • Flash Point 180.544 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 126587-35-7 ((S)-METHYL 4-(TERT-BUTOXYCARBONYLAMINO)-5-HYDROXYPENTANOATE)
  • Hazard Symbols
  • Synonyms Pentanoicacid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-5-hydroxy-, methyl ester, (S)-;
  • PSA 84.86000
  • LogP 1.21610

(S)-4-[[(tert-Butoxy)carbonyl]amino]-5-hydroxypentanoic acid methyl ester Specification

The CAS register number of (S)-4-[[(tert-Butoxy)carbonyl]amino]-5-hydroxypentanoic acid methyl ester is 126587-35-7. It also can be called as Pentanoic acid,4-[[(1,1-dimethylethoxy)carbonyl]amino]-5-hydroxy-, methyl ester, (4S)- and the systematic name about this chemical is methyl (4S)-4-[(tert-butoxycarbonyl)amino]-5-hydroxypentanoate. The molecular formula about this chemical is C11H21NO5 and the molecular weight is 247.29.

Physical properties about (S)-4-[[(tert-Butoxy)carbonyl]amino]-5-hydroxypentanoic acid methyl ester are: (1)ACD/LogP: 0.64; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 4; (5)ACD/BCF (pH 7.4): 4; (6)ACD/KOC (pH 5.5): 94; (7)ACD/KOC (pH 7.4): 94; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 84.86Å2; (12)Index of Refraction: 1.463; (13)Molar Refractivity: 61.614 cm3; (14)Molar Volume: 223.821 cm3; (15)Polarizability: 24.426x10-24cm3; (16)Surface Tension: 38.194 dyne/cm; (17)Enthalpy of Vaporization: 72.004 kJ/mol; (18)Boiling Point: 374.918 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@@H](CCC(=O)OC)CO
(2)InChI: InChI=1/C11H21NO5/c1-11(2,3)17-10(15)12-8(7-13)5-6-9(14)16-4/h8,13H,5-7H2,1-4H3,(H,12,15)/t8-/m0/s1
(3)InChIKey: SRVJJSKMYILGAM-QMMMGPOBBP
(4)Std. InChI: InChI=1S/C11H21NO5/c1-11(2,3)17-10(15)12-8(7-13)5-6-9(14)16-4/h8,13H,5-7H2,1-4H3,(H,12,15)/t8-/m0/s1
(5)Std. InChIKey: SRVJJSKMYILGAM-QMMMGPOBSA-N

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