(2R,3R,4S)-2-(2,6-diaminopurin-9-yl)-5-(difluoromethylidene)oxolane-3,4-diol

C10H10F2N6O3 — CID 67743891

IUPAC(2R,3R,4S)-2-(2,6-diaminopurin-9-yl)-5-(difluoromethylidene)oxolane-3,4-diol
SMILESNc1nc(N)c2ncn([C@@H]3OC(=C(F)F)[C@@H](O)[C@H]3O)c2n1
InChIInChI=1S/C10H10F2N6O3/c11-6(12)5-3(19)4(20)9(21-5)18-1-15-2-7(13)16-10(14)17-8(2)18/h1,3-4,9,19-20H,(H4,13,14,16,17)/t3-,4+,9+/m0/s1
InChIKeyGEOZDAGODYQSKX-NHEJAXSNSA-N
MW300.23 g/mol
LogP-0.65
Rot. Bonds1

About (2R,3R,4S)-2-(2,6-diaminopurin-9-yl)-5-(difluoromethylidene)oxolane-3,4-diol

(2R,3R,4S)-2-(2,6-diaminopurin-9-yl)-5-(difluoromethylidene)oxolane-3,4-diol (PubChem CID 67743891) has the molecular formula C10H10F2N6O3 and a molecular weight of 300.23 g/mol. Its IUPAC name is (2R,3R,4S)-2-(2,6-diaminopurin-9-yl)-5-(difluoromethylidene)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S)-2-(2,6-diaminopurin-9-yl)-5-(difluoromethylidene)oxolane-3,4-diol
PubChem CID67743891
Molecular FormulaC10H10F2N6O3
Molecular Weight300.23 g/mol
Exact Mass300.08
IUPAC Name(2R,3R,4S)-2-(2,6-diaminopurin-9-yl)-5-(difluoromethylidene)oxolane-3,4-diol
SMILESNc1nc(N)c2ncn([C@@H]3OC(=C(F)F)[C@@H](O)[C@H]3O)c2n1
InChIInChI=1S/C10H10F2N6O3/c11-6(12)5-3(19)4(20)9(21-5)18-1-15-2-7(13)16-10(14)17-8(2)18/h1,3-4,9,19-20H,(H4,13,14,16,17)/t3-,4+,9+/m0/s1
InChIKeyGEOZDAGODYQSKX-NHEJAXSNSA-N
XLogP-0.65
TPSA145.33 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (2R,3R,4S)-2-(2,6-diaminopurin-9-yl)-5-(difluoromethylidene)oxolane-3,4-diol with MolForge

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Related Compounds

(2R)-2-(2,6-diaminopurin-9-yl)-5-(difluoromethylidene)oxolane-3,4-diol
CID 57291873
(3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-ethyloxolane-3,4-diol
CID 134240596
(2R,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;hydrate
CID 163209763
trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol
CID 73050804
(2S,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-methyloxolane-2,3-diol
CID 90352589
(2R,5R)-2-(2,6-diaminopurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol
CID 69050482
(2R,3R,4S,5R)-4-chloro-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 144853999
2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 13160027
(2R,5R)-2-(2,6-diaminopurin-9-yl)-4-methoxy-5-(methoxymethyl)oxolan-3-ol
CID 67642663
(2R,3R,4S,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile
CID 175677766
(2R,3R,4S,5S)-2-(2,6-diaminopurin-9-yl)-5-(2-hydroxyethylsulfanylmethyl)oxolane-3,4-diol
CID 45268893
(4R,5R)-2-(2,6-diaminopurin-9-yl)-4-methoxy-5-(methoxymethyl)oxolan-3-ol
CID 90346189

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-2-(2,6-diaminopurin-9-yl)-5-(difluoromethylidene)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S)-2-(2,6-diaminopurin-9-yl)-5-(difluoromethylidene)oxolane-3,4-diol (CID 67743891) is (2R,3R,4S)-2-(2,6-diaminopurin-9-yl)-5-(difluoromethylidene)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S)-2-(2,6-diaminopurin-9-yl)-5-(difluoromethylidene)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S)-2-(2,6-diaminopurin-9-yl)-5-(difluoromethylidene)oxolane-3,4-diol is Nc1nc(N)c2ncn([C@@H]3OC(=C(F)F)[C@@H](O)[C@H]3O)c2n1.
What is the InChIKey of (2R,3R,4S)-2-(2,6-diaminopurin-9-yl)-5-(difluoromethylidene)oxolane-3,4-diol?
The InChIKey is GEOZDAGODYQSKX-NHEJAXSNSA-N. The full InChI is InChI=1S/C10H10F2N6O3/c11-6(12)5-3(19)4(20)9(21-5)18-1-15-2-7(13)16-10(14)17-8(2)18/h1,3-4,9,19-20H,(H4,13,14,16,17)/t3-,4+,9+/m0/s1.
What are the key properties of (2R,3R,4S)-2-(2,6-diaminopurin-9-yl)-5-(difluoromethylidene)oxolane-3,4-diol?
(2R,3R,4S)-2-(2,6-diaminopurin-9-yl)-5-(difluoromethylidene)oxolane-3,4-diol has a molecular weight of 300.23 g/mol, XLogP of -0.65, 1 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2-(2,6-diaminopurin-9-yl)-5-(difluoromethylidene)oxolane-3,4-diol is sourced from PubChem (CID 67743891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).