-
Name
Z-D-THR-OH
- EINECS
- CAS No. 80384-27-6
- Article Data20
- CAS DataBase
- Density 1.309 g/cm3
- Solubility
- Melting Point 100-102 °C
- Formula C12H15NO5
- Boiling Point 483.7 °C at 760 mmHg
- Molecular Weight 253.255
- Flash Point 246.3 °C
- Transport Information
- Appearance
- Safety 22-24/25
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Benzyloxycarbonyl-D-Threonine;N-Benzyloxycarbonyl-D-threonine;
- PSA 95.86000
- LogP 1.13770
D-Threonine,N-[(phenylmethoxy)carbonyl]- Specification
The CAS register number of D-Threonine,N-[(phenylmethoxy)carbonyl]- is 80384-27-6. It also can be called as N-[(Benzyloxy)carbonyl]-D-threonine and the systematic name about this chemical is (2R)-2-benzyloxycarbonylamino-3-hydroxy-butanoic acid. The molecular formula about this chemical is C12H15NO5 and molecular weight is 253.25. If you want to use this chemical, please avoid contact with skin and eyes. When you are using it, please do not breathe dust.
Physical properties about D-Threonine,N-[(phenylmethoxy)carbonyl]- are: (1)ACD/LogP: 1.18; (2)#H bond acceptors: 6; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 95.86Å2; (6)Index of Refraction: 1.561; (7)Molar Refractivity: 62.72 cm3; (8)Molar Volume: 193.4 cm3; (9)Polarizability: 24.86x10-24cm3; (10)Surface Tension: 55.9 dyne/cm; (11)Enthalpy of Vaporization: 78.88 kJ/mol; (12)Boiling Point: 483.7 °C at 760 mmHg; (13)Vapour Pressure: 3.62E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)O
(2)InChI: InChI=1/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)/t8?,10-/m1/s1
(3)InChIKey: IPJUIRDNBFZGQN-LHIURRSHBM
(4)Std. InChI: InChI=1S/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)/t8?,10-/m1/s1
(5)Std. InChIKey: IPJUIRDNBFZGQN-LHIURRSHSA-N
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