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Details

Stereochemistry ACHIRAL
Molecular Formula C18H28N5O10P.C4H4O4
Molecular Weight 621.4883
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Desmethyl Tenofovir Disoproxoil Fumarate

SMILES

OC(=O)C=CC(O)=O.CC(C)OC(=O)OCOP(=O)(COCCN1C=NC2=C(N)N=CN=C12)OCOC(=O)OC(C)C

InChI

InChIKey=ROFRIUDSSWUIQC-WLHGVMLRSA-N
InChI=1S/C18H28N5O10P.C4H4O4/c1-12(2)32-17(24)28-9-30-34(26,31-10-29-18(25)33-13(3)4)11-27-6-5-23-8-22-14-15(19)20-7-21-16(14)23;5-3(6)1-2-4(7)8/h7-8,12-13H,5-6,9-11H2,1-4H3,(H2,19,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+

HIDE SMILES / InChI

Molecular Formula C18H28N5O10P
Molecular Weight 505.4162
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
NE687338AA
Record Status Validated (UNII)
Record Version