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3-Formyl Rifamycin

CAT: 0572-TRC-F700950-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F700950-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13292-22-3
Synonyms
Rifampicinaldehyde; 2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-8-carboxaldehyde, 1,2-dihydro-5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-, 21-acetate (7CI,8CI); 2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv.; 3-Formylrifampicin SV; 3-Formylrifamycin; 3-Formylrifamycin SV; NCI 145-635; Rifaldehyde; Rifamycin AF
Hazard Statement
Causes serious eye damage; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C)c(C=O)c(O)c4c3C2=O
Molecular Formula
C38 H47 N O13
Molecular Weight
725.78
InChI
InChI=1S/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,24-,29-,30+,34+,38-/m0/s1
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Formylrifamycin
CAS Number13292-22-3
PubChem CID6438444
IUPAC Name[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-formyl-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
Molecular FormulaC38H47NO13
Molecular Weight725.8
XLogP4.9
Topological Polar Surface Area218
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count4
Heavy Atom Count52
Formal Charge0
Complexity1410
SMILES
C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=O)/C
InChI
InChI=1S/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,24-,29-,30+,34+,38-/m0/s1
InChIKey
BBNQHOMJRFAQBN-UPZFVJMDSA-N
Chemical Structure
2D Structure
2D structure of 3-Formylrifamycin
CAS: 13292-22-3
CID: 6438444
Formula: C38H47NO13
MW: 725.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight725.8
XLogP34.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count4
Exact Mass725.30474055
Monoisotopic Mass725.30474055
Topological Polar Surface Area218 Ų
Heavy Atom Count52
Formal Charge0
Complexity1410
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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HY-129043R-013-Formyl rifamycin (Standard)
A19090-503-Formyl rifamycin 50mg
A19090-103-Formyl rifamycin 10mg
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A19090-253-Formyl rifamycin 25mg
A19090-53-Formyl rifamycin 5mg
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