UCSF

ZINC00901289

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 8 No

Popular Name: Methylmalonic acid Methylmalonic acid

Find On: PubMed — Wikipedia — Google

CAS Number: 516-05-2

Other Names:

"Methylmalonic acid, 96%"

1,1-Ethanedicarboxylate; 1,1-Ethanedicarboxylic acid; 2-Methylmalonate; 2-Methylmalonic acid; Isosuccinate; Isosuccinic acid; Methyl-Malonate; Methyl-Malonic acid; Methyl-Propanedioate; Methyl-Propanedioic acid; Methylmalonate; Methylmalonic acid; Methylp

1,1-Ethanedicarboxylate;1,1-Ethanedicarboxylic acid;2-Methylmalonate;2-Methylmalonic acid;Isosuccinate;Isosuccinic acid;Methyl-Malonate;Methyl-Malonic acid;Methyl-Propanedioate;Methyl-Propanedioic acid;Methylmalonate;Methylmalonic acid;Methylpropanedioate

1,1-Ethanedicarboxylic acid; 2-methylmalonic acid; 2-methylpropanedioic acid; Isosuccinic acid; METHYL MALONIC ACID; MMA; Malonic acid, methyl-; Propanedioic acid, methyl-; Propanedioic acid, methyl- (9CI); bmse000398; methylmalonate; methylmalonic acid

1,1-Ethanedicarboxylic acid; 2-Methylmalonic acid; AI3-19472; BRN 1756084; EINECS 208-219-5; Isosuccinic acid; LS-88826; Malonic acid, methyl-; Methylmalonic acid; NSC 25201; Propanedioic acid, methyl-

1,1-Ethanedicarboxylic acid; 2-Methylmalonic acid; Isosuccinic acid; methyl-Malonic acid; methyl-Propanedioic acid; Methylmalonic acid; Methylpropanedioic acid

2-methyl-propanedioic acid

2-Methylmalonic acid

2-Methylpropanedioic acid

516-05-2; C02170; Methylmalonate; Methylmalonic acid

516-05-2; CPD-546; Methylmalonic acid; methylmalonate

CHEBI:14603; CHEBI:25317

LS-117708; NSC 154847; Platinum (II), diammine(methylmalonato)-, cis-; Platinum(II), diammine(methylmalonato)-, cis-; Platinum, diammine(methylpropanedioato(2-)-O,O')-, (SP-4-2)-; cis-Diammine(methylmalonato)platinum(II); cis-Methylmalonatodiammineplatinu

Methyl (D3) Malonic Acid

METHYL (D3)MALONIC ACID; [42522-59-8]

Methylmalonate

methylmalonate(1-)

methylmalonate(2-)

methylmalonate; methylmalonate dianion

Methylmalonic acid, 96%

MethylmalonicAcid

methylpropanedioic acid

MFCD00002656

OR-0233

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.45 3.46 -113.65 0 4 -2 80 116.072 2 ↓
Mid Mid (pH 6-8) -0.45 1.83 -47.26 1 4 -1 77 117.08 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.49e+02 g/l DrugBank-experimental
Mp [°C] 129 - 136 Acros Organics
M.P 134-136 °C Indofine
MP 135 TCI
MP 137-139° Oakwood Chemical
Purity 95% Fluorochem
UniProt Database Links ACSF3_BOVIN; ACSF3_HUMAN; ACSF3_MOUSE; AMDA_BORBO; CD320_HUMAN; GABT_BOVIN; GABT_HUMAN; GABT_MOUSE; GABT_PIG; GABT_RAT; IOLA1_BACAH; IOLA1_BACAN; IOLA1_BACCZ; IOLA1_BACHK; IOLA1_BACLD; IOLA1_BACSK; IOLA1_BACWK; IOLA1_GEOKA; IOLA1_GEOTN; IOLA1_OCEIH; IOLA2 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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Analogs ( Draw Identity 99% 90% 80% 70% )