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Rifamycin Impurity 23

CAT: 1299-RM-R091623-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R091623-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
59264-04-9
Synonyms
(7S,9E,11S,12R,13S,15R,16R,17S,18S,19E,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
Molecular Formula
C37H45NO13
Molecular Weight
711.76
Target Alternative Name
Rifamycin
Product Name Synonym
Rifamycin,1,4-dideoxy-1,4-dihydro-30-hydroxy-1,4-dioxo-

Chemical Information

[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
CAS Number59264-04-9
PubChem CID162996128
IUPAC Name[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
Molecular FormulaC37H45NO13
Molecular Weight711.8
XLogP3.4
Topological Polar Surface Area215
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count4
Heavy Atom Count51
Formal Charge0
Complexity1500
SMILES
CC1C=CC=C(C(=O)NC2=CC(=O)C3=C(C2=O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)CO
InChI
InChI=1S/C37H45NO13/c1-16-10-9-11-22(15-39)36(47)38-23-14-24(41)26-27(32(23)45)31(44)20(5)34-28(26)35(46)37(7,51-34)49-13-12-25(48-8)17(2)33(50-21(6)40)19(4)30(43)18(3)29(16)42/h9-14,16-19,25,29-30,33,39,42-44H,15H2,1-8H3,(H,38,47)
InChIKey
LEKDKIPWJDVFIJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [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
CAS: 59264-04-9
CID: 162996128
Formula: C37H45NO13
MW: 711.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight711.8
XLogP33.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count4
Exact Mass711.28909049
Monoisotopic Mass711.28909049
Topological Polar Surface Area215 Ų
Heavy Atom Count51
Formal Charge0
Complexity1500
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count9
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count3
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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