Norvancomycin

CAS

91700-98-0

Catalog Number

ACM91700980

Category

Other Products

Molecular Weight

1435.22702;g/mol

Molecular Formula

C65H73Cl2N9O24

MSDS COA Spec Sheet

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Specification

Synonyms

NORVANCOMYCIN; Vancomycin EP Impurity A; Desmethylvancomycin; N-Demethylvancomycin; Antibiotic A 51568A; 22H-8,11:18,21-Dietheno-23,36-(iminomethano)-13,16:31,35-dimetheno-1H,16H-[1,6,9]oxadiazacyclohexadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine,

IUPAC Name

Vancomycin, 56-demethyl-

Canonical SMILES

CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C(C(=O)NC(C(=O)NC5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)O)O)CC(=O)N)NC(=O)C(CC(C)C)N)O)Cl)CO)O)O)(C)N)O

InChI Key

NUAQIRUAZSJTAI-YRPZDAAMSA-N

Density

1.67±0.1 g/cm³ (20 °C, 760 mmHg)

Exact Mass

1433.41000

What is the molecular formula of Norvancomycin?

The molecular formula of Norvancomycin is C65H73Cl2N9O24.

When was Norvancomycin created and modified according to PubChem?

Norvancomycin was created on 2006-10-25 and last modified on 2023-12-30.

What is the molecular weight of Norvancomycin?

The molecular weight of Norvancomycin is 1435.2 g/mol.

What is the IUPAC Name of Norvancomycin?

The IUPAC Name of Norvancomycin is (1S,2R,18R,19R,22S,25R,28R,40S)-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-19-[[(2R)-2-amino-4-methylpentanoyl]amino]-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.2 3,6 .2 14,17 .1 8,12 .1 29,33 .0 10,25 .0 34,39 ]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid.

What is the InChI of Norvancomycin?

The InChI of Norvancomycin is InChI=1S/C65H73Cl2N9O24/c1-22(2)11-33(68)57(87)75-48-50(82)25-6-9-37(31(66)13-25)96-39-15-27-16-40(54(39)100-64-55(53(85)52(84)41(21-77)98-64)99-43-20-65(4,70)56(86)23(3)95-43)97-38-10-7-26(14-32(38)67)51(83)49-62(92)74-47(63(93)94)30-17-28(78)18-36(80)44(30)29-12-24(5-8-35(29)79)45(59(89)76-49)73-60(90)46(27)72-58(88)34(19-42(69)81)71-61(48)91/h5-10,12-18,22-23,33-34,41,43,45-53,55-56,64,77-80,82-86H,11,19-21,68,70H2,1-4H3,(H2,69,81)(H,71,91)(H,72,88)(H,73,90)(H,74,92)(H,75,87)(H,76,89)(H,93,94)/t23-,33+,34-,41+,43-,45+,46+,47-,48+,49-,50+,51+,52+,53-,55+,56+,64-,65-/m0/s1.

What is the InChIKey of Norvancomycin?

The InChIKey of Norvancomycin is NUAQIRUAZSJTAI-YRPZDAAMSA-N.

What is the Canonical SMILES of Norvancomycin?

The Canonical SMILES of Norvancomycin is CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C(C(=O)NC(C(=O)NC5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)C(CC(C)C)N)O)Cl)CO)O)O)(C)N)O.

What is the XLogP3-AA value of Norvancomycin?

The XLogP3-AA value of Norvancomycin is -3.1.

How many hydrogen bond donor counts does Norvancomycin have?

Norvancomycin has 19 hydrogen bond donor counts.

What is the CAS number of Norvancomycin?

The CAS number of Norvancomycin is 91700-98-0.

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