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47173-80-8

Basic Information
CAS No.: 47173-80-8
Name: N-Boc-O-Benzyl-D-serine
Article Data: 9
Molecular Structure:
Molecular Structure of 47173-80-8 (N-Boc-O-Benzyl-D-serine)
Formula: C15H21NO5
Molecular Weight: 295.335
Synonyms: (2R)-3-Benzyloxy-2-[N-(tert-butoxycarbonyl)amino]propanoicacid;(R)-3-Benzyloxy-2-(tert-butoxycarbonylamino)propionic acid;N-(tert-Butoxycarbonyl)-O-benzyl-D-serine;O-Benzyl-N-(tert-butoxycarbonyl)-D-serine;Boc-D-Ser(Bzl)-OH;
EINECS: 245-820-1
Density: 1.174 g/cm3
Melting Point: 58-60 °C(lit.)
Boiling Point: 456.2 °C at 760 mmHg
Flash Point: 229.7 °C
Appearance: White crystalline powder
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22-36/37/38
Safety: 24/25-36-26
PSA: 84.86000
LogP: 2.57200
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  • N-Boc-O-Benzyl-D-serine cas  47173-80-8

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    47173-80-8

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  • N-Boc-O-benzyl-D-serine

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  • Boc-D-Ser(Bzl)-OH

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  • N-Boc-O-Benzyl-D-Serine

  • Casno:

    47173-80-8

    N-Boc-O-Benzyl-D-Serine

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Specification

The D-Serine,N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-, with CAS registry number 47173-80-8, belongs to the following product categories:(1)Amino Acids; (2)Boc-Amino Acids and Derivative; (3)Amino Acids (N-Protected); (4)Biochemistry; (5)Boc-Amino Acids; (6)Boc-Amino acid series. It has the systematic name of O-benzyl-N-(tert-butoxycarbonyl)-L-serine. This chemical should be stored at the temperature of 2-8°C.

Physical properties of D-Serine,N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.19; (4)ACD/LogD (pH 7.4): -0.08; (5)ACD/BCF (pH 5.5): 1.29; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.86; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 65.07 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 76.83 cm3; (15)Molar Volume: 251.5 cm3; (16)Polarizability: 30.46×10-24cm3; (17)Surface Tension: 44.3 dyne/cm; (18)Enthalpy of Vaporization: 75.46 kJ/mol; (19)Vapour Pressure: 4.07E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Trimesic acid irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)COCc1ccccc1
(2)InChI: InChI=1/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(17)18)10-20-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1
(3)InChIKey: DMBKPDOAQVGTST-LBPRGKRZBV
(4)Std. InChI: InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(17)18)10-20-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1
(5)Std. InChIKey: DMBKPDOAQVGTST-LBPRGKRZSA-N