(2S)-N-[(3s,4r,4Ar,5r,6r)-3-(dichloromethyl)-1,5,6-trihydroxy-3-methyl-8-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]-2-aminopropanamide

Catalog Number

ACM72615204

Product Name

(2S)-N-[(3s,4r,4Ar,5r,6r)-3-(dichloromethyl)-1,5,6-trihydroxy-3-methyl-8-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]-2-aminopropanamide

Structure

CAS

72615-20-4

Category

Heterocyclic Organic Compound

Synonyms

Bactobolin, (-)-Bactobolin, Antibiotic BN 183B, NSC325014, BN 183B, NSC 325014, NSC-325014, Y 12278, Y-12278, 72615-20-4, Propanamide, 2-amino-N-(3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl)-, (3S-(3alpha,4alpha(R*),4abeta,5beta,6alpha))-, MLS002702960, AC1L2I8T, C14H20Cl2N2O6, CHEMBL489472, BN-183B, AR-1K3054, LS-23619, NCI60_002819, (2S)-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-1,5,6-trihydroxy-3-methyl-8-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]-2-aminopropanamide

IUPAC Name

(2S)-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-5,6,8-trihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]-2-aminopropanamide

Molecular Weight

383.224 g/mol

Molecular Formula

C₁₄H₂₀Cl₂N₂O₆

Canonical SMILES

CC(C(=O)NC1C2C(C(CC(=C2C(=O)OC1(C)C(Cl)Cl)O)O)O)N

InChI Key

RBCHRRIVFAIGFI-RGBMRXMBSA-N

Boiling Point

642.9ºC at 760 mmHg

Flash Point

342.6ºC

Density

1.55g/cm³

Exact Mass

382.07000

H-Bond Acceptor

7

H-Bond Donor

5

MSDS

COA

Spec Sheet