Cefprozil (E)-Isomer

CAS

92676-86-3

Catalog Number

ACM92676863

Category

Other Products

Molecular Weight

389.425560 [g/mol]

Molecular Formula

C18H19N3O5S

MSDS COA Spec Sheet

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Specification

Synonyms

7-[2-amino-2-(4-hydroxyphenyl)acetamido]-3-[(E)-propen-1-yl]-3-cephem-4-carboxylic acid; (7R,8R)-7-[(R)-2-amino-2-(4-hydroxyphenyl)acetamido]-3-[(E)-propen-1-yl]-3-cephem-4-carboxylic acid; Acetic acid,(4-oxo-2-thiazolidinylidene)-,methyl ester,(E); E-Car

IUPAC Name

(6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

InChI Key

WDLWHQDACQUCJR-ZAMMOSSLSA-N

Boiling Point

803.1ºC at 760mmHg

Flash Point

439.5ºC

Exact Mass

407.11500

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of the Cefprozil (E)-Isomer?

The molecular formula is C18H19N3O5S.

What is the molecular weight of the Cefprozil (E)-Isomer?

The molecular weight is 389.4 g/mol.

What is the IUPAC name of the Cefprozil (E)-Isomer?

The IUPAC name is 7-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-prop-1-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.

What is the InChI of the Cefprozil (E)-Isomer?

The InChI is InChI=1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26).

What is the InChIKey of the Cefprozil (E)-Isomer?

The InChIKey is WDLWHQDACQUCJR-UHFFFAOYSA-N.

What is the Canonical SMILES of the Cefprozil (E)-Isomer?

The Canonical SMILES is CC=CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O.

What is the ChEMBL ID of the Cefprozil (E)-Isomer?

The ChEMBL ID is CHEMBL3302259.

What is the XLogP3 value of the Cefprozil (E)-Isomer?

The XLogP3 value is -1.4.

How many hydrogen bond donor counts does the Cefprozil (E)-Isomer have?

It has 4 hydrogen bond donor counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.