Alloisoleucine, DL-

HCID 99288
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Basic information

CAS
1509-34-8
Standard SMILES
CC[C@@H](C)[C@H](N)C(=O)O
InChIKey
AGPKZVBTJJNPAG-UHNVWZDZSA-N
Molecular formula
C6H13NO2
Average molar mass
131.17 g/mol
Monoisotopic mass
131.09462866

Overview

L-alloisoleucine is an optically active form of alloisoleucine having L-(2S,3R)-configuration. It has a role as a human metabolite. It is an alloisoleucine and a non-proteinogenic L-alpha-amino acid. It is an enantiomer of a D-alloisoleucine. It is a tautomer of a L-alloisoleucine zwitterion.

Names & identifiers

Preferred name
Alloisoleucine, DL-
IUPAC
(2S,3R)-2-amino-3-methylpentanoic acid

Names & synonyms

DL-Allo-isoleucineAlloisoleucine, DL-05T3WT3PJ1DL-AlloisoleucineEINECS 221-464-2RefChem:554752L-Alloisoleucine1509-34-8L-allo-IsoleucineAlloisoleucine(2S,3R)-2-amino-3-methylpentanoic acidAllo-Isoleucine
Show more names
H-Allo-Ile-OHallo-L-IsoleucineAlloisoleucine, L-(3R)-LS-isoleucine3107-04-8L(+)-AlloisoleucineMFCD00066446L-Norvaline, 3-methyl-, threo-

Database identifiers

CAS
1509-34-8、3107-04-8、443-79-8
PubChem CID
99288
DTXSID
DTXSID501019679
ChEMBL
CHEMBL56053
ChEBI
CHEBI:43433
UNII
05T3WT3PJ1、6RNR8XN7S2
EC Number
207-139-8、216-142-3、221-464-2
Nikkaji
J1.239D

Properties

Computed structural propertiesFilling in

XLogP
-1.7
Topological polar surface area
63.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
9

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15
LogP-1.70
Solubility34.4 mg/mL at 25 °C
Melting Point60 - 64 °C
Physical DescriptionSolid
Collision Cross Section · 2 items

134.45 Ų [M-H]- [CCS Type: DT; Method: stepped-field]

133.4 Ų [M-H]-

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (104 of 104) of all reports.

Not Classified

Aggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationChemical: DL-Alloisoleucine
Other Safety InformationIMAP assessments - DL-Alloisoleucine: Environment tier I assessment
Hazard Classes and CategoriesNot Classified

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Suppliers100 total

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]

Related reactions

12 records
New reaction record

Compound notes

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