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64205-12-5 molecular structure
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(2R)-2-{[(benzyloxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoic acid

ChemBase ID: 119831
Molecular Formular: C17H17NO5
Molecular Mass: 315.32058
Monoisotopic Mass: 315.11067265
SMILES and InChIs

SMILES:
C(=O)(N[C@@H](C(=O)O)Cc1ccc(cc1)O)OCc1ccccc1
Canonical SMILES:
O=C(N[C@@H](C(=O)O)Cc1ccc(cc1)O)OCc1ccccc1
InChI:
InChI=1S/C17H17NO5/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)/t15-/m1/s1
InChIKey:
MCRMUCXATQAAMN-OAHLLOKOSA-N

Cite this record

CBID:119831 http://www.chembase.cn/molecule-119831.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-{[(benzyloxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoic acid
IUPAC Traditional name
(2R)-2-{[(benzyloxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoic acid
Synonyms
(R)-2-(((benzyloxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid
Z-D-tyrosine
Z-D-Tyr-OH
Z-D-酪氨酸
CAS Number
64205-12-5
MDL Number
MFCD00063031
Beilstein Number
6071009
PubChem SID
162108137
24890392
PubChem CID
736160

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 736160 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.6424954  H Acceptors
H Donor LogD (pH = 5.5) 1.082272 
LogD (pH = 7.4) -0.3944529  Log P 2.9366605 
Molar Refractivity 82.7772 cm3 Polarizability 32.17228 Å3
Polar Surface Area 95.86 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥98.0% (TLC) expand Show data source
Empirical Formula (Hill Notation)
C17H17NO5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 97285 external link
Packaging
5 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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