Fumaric acid, dihydroxy-, dimethyl ester, diacetate

HCID 3032293CAS 130-84-7
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Basic information

Standard SMILES
COC(=O)/C(OC(C)=O)=C(/OC(C)=O)C(=O)OC
InChIKey
NKGXGEHGPYWBDK-FPLPWBNLSA-N
Molecular formula
C10H12O8
Average molar mass
260.2 g/mol
Monoisotopic mass
260.05321734

Names & identifiers

Preferred name
Fumaric acid, dihydroxy-, dimethyl ester, diacetate
IUPAC
dimethyl (Z)-2,3-diacetyloxybut-2-enedioate
English name
DIMETHYL (Z)-2,3-DIACETYLOXYBUT-2-ENEDIOATE
Molecular formula
C10H12O8
Molecular weight
260.2

Names & synonyms

130-84-7Dihydroxyfumaric acid dimethyl ester diacetateBRN 1715167FUMARIC ACID, DIHYDROXY-, DIMETHYL ESTER, DIACETATE4-03-00-01251 (Beilstein Handbook Reference)RefChem:345750dimethyl (Z)-2,3-diacetyloxybut-2-enedioateDTXSID001030531(2E)-2,3-Bis(acetyloxy)-2-butenedioic Acid 1,4-Dimethyl EsterDimethyl diacetoxyfumarateDimethyl 2,3-diacetoxyfumarateDiacetoxy-fumaric acid dimethyl ester
Show more names
Diacetoxy-fuMaric Acid DiMethyl Ester (DAF)1,4-Dimethyl (2E)-2,3-bis(acetyloxy)but-2-enedioate(Z)-2,3-diacetyloxy-2-butenedioic acid dimethyl ester

Database identifiers

CAS
130-84-7
PubChem CID
3032293
DTXSID
DTXSID001030531

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
105 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
18

Physicochemical properties

Melting point
102 · 102-105 ºC
Boiling point
322.8 · 322.8±42.0 °C(Predicted)
Density
1.296 · 1.296
EWG's Food Scores
1 · 1

Chemistry & industry

Applications

UsesDIMETHYL (Z)-2,3-DIACETYLOXYBUT-2-ENEDIOATE is used in the synthesis of HIV-1 integrase inhibitors.

Suppliers22 total

杭州莱晟生物科技有限公司13456210265 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
天津安浩生物科技有限公司[email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]

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