Erythromycin, anhydro-, N-oxide

HCID 88121
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Basic information

CAS
63950-90-3
Standard SMILES
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([N+](C)(C)[O-])[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
InChIKey
LUIPOVCSQJTWHA-RWJQBGPGSA-N
Molecular formula
C37H67NO14
Average molar mass
749.9 g/mol
Monoisotopic mass
749.45615582

Overview

Erythromycin, anhydro-, N-oxide has been reported in Saccharopolyspora erythraea with data available.

Names & identifiers

Preferred name
Erythromycin, anhydro-, N-oxide
IUPAC
(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-3-hydroxy-N,N,6-trimethyloxan-4-amine oxide
English name
USAF EL-99
Molecular formula
C37H65NO13
Molecular weight
731.914

Names & synonyms

Erythromycin, anhydro-, N-oxide63950-90-3DTXSID50213784(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-3-hydroxy-N,N,6-trimethyloxan-4-amine oxide(2S,3R,4S,6R)-2-(((3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl)oxy)-3-hydroxy-N,N,6-trimethyloxan-4-amine oxideRefChem:1084258DTXCID80136275Erythromycin A N-oxide992-65-4T9KL5GX5WQAnhydroerythromycin-N-oxideErythromycin EP Impurity H
Show more names
Erythromycin, N-oxideErythromycin A N-oxide (>80%)(2S,3R,4S,6R)-2-(((3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-6-yl)oxy)-3-hydroxy-N,N,6-trimethyltetrahydro-2H-pyran-4-amine oxideUSAF EL-99UNII-T9KL5GX5WQorb1692890SCHEMBL14342543LUIPOVCSQJTWHA-RWJQBGPGSA-N

Database identifiers

CAS
63950-90-3、992-65-4
PubChem CID
88121
DTXSID
DTXSID50213784
UNII
T9KL5GX5WQ

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
209 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
14
Rotatable bonds
7
Heavy atoms
52

Chemistry & industry

Suppliers57 total

艾吉析科技（上海）有限公司17717235263 · [email protected]
广州朗欧生物科技有限公司15876533741 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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