Cas no 51828-96-7 (Calcium (S)-3-methyl-2-oxovalerate)

Calcium (S)-3-methyl-2-oxovalerate structure
51828-96-7 structure
Product Name:Calcium (S)-3-methyl-2-oxovalerate
CAS No:51828-96-7
MF:C12H18CaO6
MW:298.345723628998
CID:56103
PubChem ID:21149466
Update Time:2025-04-18

Calcium (S)-3-methyl-2-oxovalerate Chemical and Physical Properties

Names and Identifiers

    • Calcium (S)-3-methyl-2-oxovalerate
    • Calcium alpha-ketoisoleucine (1:2)
    • 3-Methyl-2-oxo-pentanoic acid calcium salt
    • calcium,(3S)-3-methyl-2-oxopentanoate
    • calcium (3S)-3-methyl-2-oxidanylidene-pentanoate
    • EINECS 257-458-1
    • Pentanoic acid,3-methyl-2-oxo-,calcium salt,(S)-(9CI)
    • 85RJ2N890T
    • DTXSID20199788
    • W-105863
    • 51828-96-7
    • CALCIUM 3-METHYL-2-OXOVALERATE, (3S)-
    • UNII-85RJ2N890T
    • .ALPHA.-KETO-ISOLEUCINE CALCIUM SALT
    • Q27269667
    • calcium (3S)-3-methyl-2-oxo-pentanoate;Calcium (S)-3-methyl-2-oxopentanoate
    • alpha-Ketoisoleucine acid calcium salt
    • Calcium(S)-3-methyl-2-oxopentanoate
    • (3S)-calcium 3-methyl-2-oxo-pentanoate
    • ALPHA-KETO-ISOLEUCINE CALCIUM [WHO-DD]
    • CALCIUM 3-METHYL-2-OXO-PENTANOATE, (3S)-
    • KETO-ISOLEUCINE CALCIUM
    • PENTANOIC ACID, 3-METHYL-2-OXO-, CALCIUM SALT, (S)-
    • calcium;(3S)-3-methyl-2-oxopentanoate
    • NS00088612
    • alpha-Keto-isoleucine calcium salt
    • A828805
    • Calcium (S)-3-methyl-2-oxopentanoate
    • ALPHA-KETO-ISOLEUCINE CALCIUM
    • MDL： MFCD00002583
    • Inchi： 1S/2C6H10O3.Ca/c2*1-3-4(2)5(7)6(8)9;/h2*4H,3H2,1-2H3,(H,8,9);/q;;+2/p-2/t2*4-;/m00./s1
    • InChI Key： PTFSVYLXDCGPFY-SCGRZTRASA-L
    • SMILES： [Ca+2].O=C(C(=O)[O-])[C@@H](C)CC.O=C(C(=O)[O-])[C@@H](C)CC

Computed Properties

  • Exact Mass: 298.07300
  • Monoisotopic Mass: 298.0729291g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 123
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 114?2

Experimental Properties

  • PSA: 86.74000
  • LogP: 1.21820

Calcium (S)-3-methyl-2-oxovalerate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A450000797-25g
Calcium (S)-3-methyl-2-oxopentanoate
 51828-96-7 97%
25g
 463.54 USD 2021-06-11
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1737223-25g
Calcium (s)-3-methyl-2-oxopentanoate
 51828-96-7 98%
25g
 ￥4945.00 2024-05-10

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