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Basic Information
CAS No.: 124832-31-1
Name: Cbz-Valaciclovir
Molecular Structure:
Molecular Structure of 124832-31-1 (Cbz-Valaciclovir)
Formula: C21H26N6O6
Molecular Weight: 458.474
Synonyms: N-[(Phenylmethoxy)carbonyl]-L-valine 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester;2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl N-[(benzyloxy)carbonyl]-L-valinate;L-Valine,N-[(phenylmethoxy)carbonyl]-,2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester;
EINECS: 1312995-182-4
Density: 1.429 g/cm3
PSA: 163.45000
LogP: 2.14220
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    Cbz-Valaciclovir

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  • Cbz-Valaciclovir

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    Cbz-Valaciclovir

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Chemistry

Following is the structure of L-Valine,N-[(phenylmethoxy)carbonyl]-,2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester (CAS NO.124832-31-1):
                      
Empirical Formula: C21H26N6O6
Molecular Weight: 458.4677 
Index of Refraction: 1.644
Molar Refractivity: 116.123 cm3
Molar Volume: 320.766 cm3
Density: 1.429 g/cm3
Polarizability: 46.035 10-24cm3
Surface Tension: 56.799 dyne/cm
SMILES: O=C(OCc1ccccc1)N[C@H](C(=O)OCCOCn2c3N\C(=N/C(=O)c3nc2)N)C(C)C
InChI: InChI=1/C21H26N6O6/c1-13(2)15(24-21(30)33-10-14-6-4-3-5-7-14)19(29)32-9-8-31-12-27-11-23-16-17(27)25-20(22)26-18(16)28/h3-7,11,13,15H,8-10,12H2,1-2H3,(H,24,30)(H3,22,25,26,28)/t15-/m0/s1
InChIKey: ZQSUAJRZJTUOEA-HNNXBMFYBU

Specification

 L-Valine,N-[(phenylmethoxy)carbonyl]-,2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester , its cas register number 124832-31-1. It also can be called Cbz-Valaciclovir ; 2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl N-[(benzyloxy)carbonyl]-L-valinate ; and N-[(Phenylmethoxy)carbonyl]-L-valine 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester .