[(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17-trihydroxy-22-(hydroxymethyl)-11-methoxy-3,7,12,14,16,18-hexamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate
Completing data — refresh the page later to see the latest
Basic information
- CAS
59264-04-9- Standard SMILES
CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C=C(NC(=O)/C(CO)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O- InChIKey
LEKDKIPWJDVFIJ-GDJFEDRNSA-N- Molecular formula
- C37H45NO13
- Average molar mass
- 711.8 g/mol
- Monoisotopic mass
- 711.28909049
Names & identifiers
- Preferred name
- [(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17-trihydroxy-22-(hydroxymethyl)-11-methoxy-3,7,12,14,16,18-hexamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate
- IUPAC
- [(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17-trihydroxy-22-(hydroxymethyl)-11-methoxy-3,7,12,14,16,18-hexamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate
- English name
- 1,4-Dideoxy-30-hydroxy-1,4-dioxorifamycin
- Molecular formula
- C37H45NO13
- Molecular weight
- 711.75
Names & synonyms
SCHEMBL30988952Rifamycin RRifamycin Impurity 71,4-Dideoxy-30-hydroxy-1,4-dioxorifamycinRifamycin, 1,4-dideoxy-1,4-dihydro-30-hydroxy-1,4-dioxo-
Database identifiers
- CAS
59264-04-9- PubChem CID
- 101277349
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 215 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 4
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…