chempirical

Ridaforolimus

C53H84NO14PCAS 572924-54-0990.22 g/mol

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Properties

Molecular formula
C53H84NO14P
Molar mass
990.22 g/mol
Exact mass
989.5629 Da
logP
7.74Crippen estimate
Polar surface area
201.5 Ų
H-bond donors / acceptors
2 / 14
Rotatable bonds
8
Stereocentres
S, S, R, R, S, S, R, S, R, R, R, R, R, R, Sin SMILES atom order
Double bonds
E, E, EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
572924-54-0
SMILES
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OP(C)(C)=O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
InChIKey
BUROJSBIWGDYCN-GAUTUEMISA-N
InChI
InChI=1S/C53H84NO14P/c1-32-18-14-13-15-19-33(2)44(63-8)30-40-23-21-38(7)53(61,67-40)50(58)51(59)54-25-17-16-20-41(54)52(60)66-45(35(4)28-39-22-24-43(46(29-39)64-9)68-69(11,12)62)31-42(55)34(3)27-37(6)48(57)49(65-10)47(56)36(5)26-32/h13-15,18-19,27,32,34-36,38-41,43-46,48-49,57,61H,16-17,20-26,28-31H2,1-12H3/b15-13+,18-14+,33-19+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Rapamycin, 42-(dimethylphosphinate)
  • AP 23573
  • Deforolimus
  • MK 8669
  • AP 2357

Work with Ridaforolimus

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Rapamycin53123-88-988 % similar Everolimus159351-69-686 % similar Temsirolimus162635-04-382 % similar Everolimus O-ethyl impurity1704711-12-580 % similar Zotarolimus221877-54-979 % similar Ascomycin104987-12-437 % similar Immunomycin11011-38-437 % similar (-)-Pimecrolimus137071-32-037 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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