N-acetyl-D-valine
Basic information
- CAS
17916-88-0- Standard SMILES
CC(=O)N[C@@H](C(=O)O)C(C)C- InChIKey
IHYJTAOFMMMOPX-ZCFIWIBFSA-N- Molecular formula
- C7H13NO3
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.08954328
Overview
N-Acetyl-D-valine is a metabolite found in or produced by Saccharomyces cerevisiae.
Names & identifiers
- Preferred name
- N-acetyl-D-valine
- IUPAC
- (2R)-2-acetamido-3-methylbutanoic acid
- English name
- Ac-D-Val-OH
- Molecular formula
- C7H13NO3
- Molecular weight
- 159.18
Names & synonyms
N-Acetyl-D-valine17916-88-0D-Valine, N-acetyl-EINECS 241-860-9DTXSID20170774NSC 19758RefChem:162605DTXCID0093265241-860-9IHYJTAOFMMMOPX-ZCFIWIBFSA-NAc-D-Val-OHAcetyl-D-Valine
Show more names
Nsc19758Ac-D-ValAC-D-VALINEN-ACETYL-D-VALACETYL-D-TYROSINEAcetyl-D-valine99%
(2R)-2-acetamido-3-methylbutanoic acidN-Acetylvaline #MFCD00026457(2R)-2-acetamido-3-methyl-butanoic acidSCHEMBL1203937(2R)-2-(acetylamino)-3-methylbutanoic acidSTK801799CS-W016181
Database identifiers
- CAS
17916-88-0- PubChem CID
- 76475
- DTXSID
DTXSID20170774- ChEMBL
CHEMBL173343- EC Number
- 241-860-9
- Nikkaji
- J207.922D
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 165
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 167 · 167-169℃
- Boiling point
- 362.2 · 362.2±25.0 °C(Predicted)
- Density
- 1.094 · 1.094±0.06 g/cm3(Predicted)
- refractive index
- -12 ° · -12 ° (C=1, AcOH)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- almost transparency in Acetic acid
- form
- Solid
- pka
- 3.62 · 3.62±0.10(Predicted)
- color
- White to Almost white
- InChIKey
- IHYJTAOFMMMOPX-ZCFIWIBFSA-N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2924297099
- risk_code
- 36/37/38-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37
- hazard_class
- IRRITANT
- Hazard statements
- H315-H317-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesN-Acetyl-D-Valine is a useful intermediate for the microbial production of D-amino acids and derivatives.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
3 records
Compound notes
Loading…