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27-O-Desmethyl Rapamycin

CAT: 1459-CS-O-39944Size: 1 EachDry Ice: NoHazardous: No
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Description
27-O-Desmethyl Rapamycin is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Rapamycin. The product is supplied by Clearsynth under CAT No. CS-O-39944. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
141392-23-6
Synonyms
27-O-Desmethyl Rapamycin
Molecular Formula
C 50 H 77 NO 13
Molecular Weight
900.15
Additionnal Information
27-O-Desmethyl Rapamycin is supplied with detailed characterization data compliant with regulatory guideline. 27-O-Desmethyl Rapamycin can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Rapamycin.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Rapamycin, 32-O-demethyl-
CAS Number141392-23-6
PubChem CID9811509
IUPAC Name(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18,19-trihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-30-methoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
Molecular FormulaC50H77NO13
Molecular Weight900.1
XLogP5.5
Topological Polar Surface Area206
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count5
Heavy Atom Count64
Formal Charge0
Complexity1740
SMILES
C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)O)C)C)/C)OC
InChI
InChI=1S/C50H77NO13/c1-29-15-11-10-12-16-30(2)41(61-8)27-37-20-18-35(7)50(60,64-37)47(57)48(58)51-22-14-13-17-38(51)49(59)63-42(32(4)25-36-19-21-39(52)43(26-36)62-9)28-40(53)31(3)24-34(6)45(55)46(56)44(54)33(5)23-29/h10-12,15-16,24,29,31-33,35-39,41-43,45-46,52,55-56,60H,13-14,17-23,25-28H2,1-9H3/b12-10+,15-11+,30-16+,34-24+/t29-,31-,32-,33-,35-,36+,37+,38+,39-,41+,42+,43-,45-,46+,50-/m1/s1
InChIKey
FQQYOXPFBMYCPO-AURGRMCHSA-N
Chemical Structure
2D Structure
2D structure of Rapamycin, 32-O-demethyl-
CAS: 141392-23-6
CID: 9811509
Formula: C50H77NO13
MW: 900.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight900.1
XLogP35.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count5
Exact Mass899.53949151
Monoisotopic Mass899.53949151
Topological Polar Surface Area206 Ų
Heavy Atom Count64
Formal Charge0
Complexity1740
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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