(2R,3R,4R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(2-phenylethenyl)oxolane-3,4-diol

C22H25N5O3 — CID 69466504

IUPAC(2R,3R,4R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(2-phenylethenyl)oxolane-3,4-diol
SMILESO[C@@H]1[C@@H](O)[C@@H](C=Cc2ccccc2)O[C@H]1n1cnc2c(NC3CCCC3)ncnc21
InChIInChI=1S/C22H25N5O3/c28-18-16(11-10-14-6-2-1-3-7-14)30-22(19(18)29)27-13-25-17-20(23-12-24-21(17)27)26-15-8-4-5-9-15/h1-3,6-7,10-13,15-16,18-19,22,28-29H,4-5,8-9H2,(H,23,24,26)/t16-,18+,19-,22-/m1/s1
InChIKeyFZOKRCLVLPATSB-ITBLURSFSA-N
MW407.47 g/mol
LogP2.51
Rot. Bonds5

About (2R,3R,4R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(2-phenylethenyl)oxolane-3,4-diol

(2R,3R,4R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(2-phenylethenyl)oxolane-3,4-diol (PubChem CID 69466504) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(2-phenylethenyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(2-phenylethenyl)oxolane-3,4-diol
PubChem CID69466504
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name(2R,3R,4R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(2-phenylethenyl)oxolane-3,4-diol
SMILESO[C@@H]1[C@@H](O)[C@@H](C=Cc2ccccc2)O[C@H]1n1cnc2c(NC3CCCC3)ncnc21
InChIInChI=1S/C22H25N5O3/c28-18-16(11-10-14-6-2-1-3-7-14)30-22(19(18)29)27-13-25-17-20(23-12-24-21(17)27)26-15-8-4-5-9-15/h1-3,6-7,10-13,15-16,18-19,22,28-29H,4-5,8-9H2,(H,23,24,26)/t16-,18+,19-,22-/m1/s1
InChIKeyFZOKRCLVLPATSB-ITBLURSFSA-N
XLogP2.51
TPSA105.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R,3R,4R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(2-phenylethenyl)oxolane-3,4-diol with MolForge

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Related Compounds

(2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-[2-(6-fluoro-2-pyridinyl)ethenyl]oxolane-3,4-diol
CID 69467818
(2R,3R,4S,5S)-2-[6-(cyclopentylamino)purin-9-yl]-5-(sulfanylmethyl)oxolane-3,4-diol
CID 137454747
(2R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 56995921
2-[6-(cyclopentylamino)purin-9-yl]-5-ethyloxolane-3,4-diol
CID 76777733
(2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(2-cyclopentylethyl)oxolane-3,4-diol
CID 21021557
(2R,3R,4S,5R)-4-amino-2-[6-(cyclopentylamino)purin-9-yl]-5-methyloxolan-3-ol
CID 175676425
(2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(methylaminomethyl)oxolane-3,4-diol
CID 71450934
(2R,3R,4S,5S)-2-[6-(cyclohexylamino)purin-9-yl]-5-(1-hydroxy-2-methylprop-1-enyl)oxolane-3,4-diol
CID 141279232
2-[6-(cyclopentylamino)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol
CID 14836036
(2R,3R,4S)-2-[6-(cyclobutylamino)purin-9-yl]-5-ethynyloxolane-3,4-diol
CID 87846596
[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen sulfite
CID 53390268
(2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-[[hydroperoxy(hydroxy)amino]oxymethyl]oxolane-3,4-diol
CID 88892627

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(2-phenylethenyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(2-phenylethenyl)oxolane-3,4-diol (CID 69466504) is (2R,3R,4R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(2-phenylethenyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(2-phenylethenyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(2-phenylethenyl)oxolane-3,4-diol is O[C@@H]1[C@@H](O)[C@@H](C=Cc2ccccc2)O[C@H]1n1cnc2c(NC3CCCC3)ncnc21.
What is the InChIKey of (2R,3R,4R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(2-phenylethenyl)oxolane-3,4-diol?
The InChIKey is FZOKRCLVLPATSB-ITBLURSFSA-N. The full InChI is InChI=1S/C22H25N5O3/c28-18-16(11-10-14-6-2-1-3-7-14)30-22(19(18)29)27-13-25-17-20(23-12-24-21(17)27)26-15-8-4-5-9-15/h1-3,6-7,10-13,15-16,18-19,22,28-29H,4-5,8-9H2,(H,23,24,26)/t16-,18+,19-,22-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(2-phenylethenyl)oxolane-3,4-diol?
(2R,3R,4R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(2-phenylethenyl)oxolane-3,4-diol has a molecular weight of 407.47 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(2-phenylethenyl)oxolane-3,4-diol is sourced from PubChem (CID 69466504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).