1,1-Dimethylethyl N-[(5-acetyl-2-thienyl)methyl]carbamate

Iupac Name：(1S,4aR,7R,7aR)-4a-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carbaldehyde

CAS No.：72396-01-1

Molecular Weight：360.35636

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1. Names and Identifiers

1.1 Name: 1,1-Dimethylethyl N-[(5-acetyl-2-thienyl)methyl]carbamate
1.2 Synonyms: Carbamic acid, N-[(5-acetyl-2-thienyl)methyl]-, 1,1-dimethylethyl ester

1.3 CAS No.: 72396-01-1

1.4 CID: 155882

1.5 Molecular Formula: C₁₇H₁₄O₆ (isomer)

1.6 Inchi: InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1

1.7 InChkey: QCCRICPXIMDIGF-FHZCTKOVSA-N

1.8 Canonical Smiles: CC1CCC2(C1C(OC=C2C=O)OC3C(C(C(C(O3)CO)O)O)O)O

1.9 Isomers Smiles: C[C@@H]1CC[C@]2([C@@H]1[C@@H](OC=C2C=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O

2. Properties

3.1 Refractive index: 1.615

3.1 Precise Quality: 360.14200

3.1 PSA: 145.91000

3.1 logP: -1.98080

3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available