Cidofovir hydrate
Properties
- Molecular formula
- C8H18N3O8P
- Molar mass
- 315.22 g/mol
- Exact mass
- 315.0832 Da
- logP
- -3.07Crippen estimate
- Polar surface area
- 211.9 Ų
- H-bond donors / acceptors
- 5 / 6
- Rotatable bonds
- 6
- Stereocentres
- Sin SMILES atom order
Hazards
Danger
- H301 Toxic if swallowed33.3% of notifiers
- H315 Causes skin irritation66.7% of notifiers
- H341 Suspected of causing genetic defects66.7% of notifiers
- H351 Suspected of causing cancer66.7% of notifiers
- H361 Suspected of damaging fertility or the unborn child66.7% of notifiers
- H371 May cause damage to organs66.7% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P264, P270, P280, P301+P316, P302+P352, P308+P316, P318, P321, P330, P332+P317, P362+P364, P405, P501
Identifiers
CAS number
149394-66-1SMILES
N=c1ccn(C[C@@H](CO)OCP(=O)(O)O)c(O)n1.O.OInChIKey
FPKARFMSZDBYQF-ILKKLZGPSA-NInChI
InChI=1S/C8H14N3O6P.2H2O/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16;;/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16);2*1H2/t6-;;/m0../s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Phosphonic acid, P-[[(1S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-, hydrate (1:2)
- Phosphonic acid, [[2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-, dihydrate, (S)-
- Phosphonic acid, [[(S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-, dihydrate
- (S)-(((1-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl)oxy)methyl)phosphonic Acid Dihydrate
Work with Cidofovir hydrate
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.
Similar compounds
Dideoxycytidine7481-89-245 % similar
3′-Cmp84-52-640 % similar
2′-Cytidylic acid85-94-940 % similar
2′,3′-Dideoxycytidine 5′-monophosphate104086-76-239 % similar
Lamivudine134678-17-438 % similar
Cytarabine147-94-438 % similar
Cytidine65-46-338 % similar
2′-Deoxy-2′-fluorocytidine10212-20-138 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.