chempirical

Peramivir trihydrate

C15H34N4O7CAS 1041434-82-5382.46 g/mol

Open in Covalent MOL file
NHOHOOOHHNNHH2NH2OH2OH2O
AlcoholCarboxylic acidGuanidine

Properties

Molecular formula
C15H34N4O7
Molar mass
382.46 g/mol
Exact mass
382.2427 Da
logP
-1.77Crippen estimate
Polar surface area
246.5 Ų
H-bond donors / acceptors
6 / 4
Rotatable bonds
7
Stereocentres
S, R, S, S, Rin SMILES atom 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
1041434-82-5
SMILES
CCC(CC)[C@H](N=C(C)O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1NC(=N)N.O.O.O
InChIKey
RFUCJKFZFXNIGB-ZBBHRWOZSA-N
InChI
InChI=1S/C15H28N4O4.3H2O/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23;;;/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19);3*1H2/t9-,10+,11+,12-,13+;;;/m0.../s1

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Names and synonyms

1 names
  • Cyclopentanecarboxylic acid, 3-[(1S)-1-(acetylamino)-2-ethylbutyl]-4-[(aminoiminomethyl)amino]-2-hydroxy-, hydrate (1:3), (1S,2S,3R,4R)-

Work with Peramivir trihydrate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Peramivir229614-55-5Anhydrous Peramivir330600-85-6Anhydrous

Similar compounds

N-Acetyl-L-arginine155-84-042 % similar Zanamivir139110-80-840 % similar 2-(Acetylamino)butanoic acid7211-57-637 % similar N2-Acetyl-D-asparagine26117-27-134 % similar N-Acetyl-L-isoleucine3077-46-134 % similar N-Acetylasparagine4033-40-334 % similar N-Acetyl-L-lysine1946-82-333 % similar Aceglutamide2490-97-333 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook