Products for Research Use Only
RegisterLogin

3-Formyl rifamycin

CAT: 0926-AF23561-01Size: 2 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-AF23561-01Size:2 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
13292-22-3
Synonyms
NCI 145-635
MDL Number
MFCD01729454
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
Molecular Formula
C38H47NO13
Molecular Weight
725.78 g/mol
Controlled
No

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

Related Products

CatalogName
NAA29253-013- (Isonicotinoylhydrazonomethyl) rifamycin
WAA28898Rifamycin pr-3
AR27729-01Rifamycin O
FR178810-01Rifamycin B
FR151216-01Rifamycin S
FR27730-01Rifamycin SV sodium
WAA24038Rifamycin PR-14
ARA74829-013'-Formyl-biphenyl-3-carbonitrile
FF50827-013-Formyl-4-methoxypyridine
IJB47891-013-Formyl-2-hydroxybenzonitrile

Alternative Products

CatalogName
257307-013-Formyl Rifamycin
HY-129043R-013-Formyl rifamycin (Standard)
A19090-503-Formyl rifamycin 50mg
A19090-103-Formyl rifamycin 10mg
A19090-1003-Formyl rifamycin 100mg
A19090-253-Formyl rifamycin 25mg
A19090-53-Formyl rifamycin 5mg
sc-2066463-Formyl-25-desacetyl Rifamycin
A19090-10mM-D3-Formyl rifamycin 10mM * 1mL in DMSO
0126073-Formyl Rifamycin discontinued. See 257307

Popular Products