Basic information
- CAS
59232-87-0- Standard SMILES
COC1/C=C\OC2(C)Oc3c(C)c(O)c4c(O)c(c5scnc5c4c3C2=O)NC(=O)/C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C- InChIKey
XTPGUQSTSWYULT-KNHFXZDRSA-N- Molecular formula
- C38H46N2O11S
- Average molar mass
- 738.8 g/mol
Overview
structure in first source
Names & identifiers
- Preferred name
- Rifamycin P
- IUPAC
- [(9Z,19E,21E)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,33-dioxa-27-thia-24,29-diazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26(30),28-nonaen-13-yl] acetate
- English name
- rifamycin P
- Molecular formula
- C38H46N2O11S
- Molecular weight
- 738.84
Names & synonyms
Rifamycin P59232-87-0RefChem:179426BRN 1070838XTPGUQSTSWYULT-TXXBDZDDSA-N[(9Z,19E,21E)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,33-dioxa-27-thia-24,29-diazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26(30),28-nonaen-13-yl] acetate9,4-(Epoxypentadeca[1,11,13]trienimino)furo[2',3':7,8]naphtho[1,2-d]thiazole-10,26(9H)-dione, 16-(acetyloxy)-5,6,18,20-tetrahydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-, (9S,12E,14S,15R,16S,17R,18R,19R,20S,21S,22E,24Z)-
Database identifiers
- CAS
59232-87-0- PubChem CID
- 6441079
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 222 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 3
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,420
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
1 records
Compound notes
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