(2R,3R,4S,5R)-2-(2-fluoropurin-9-yl)-5-(trityloxymethyl)oxolane-3,4-diol

C29H25FN4O4 — CID 22861951

IUPAC(2R,3R,4S,5R)-2-(2-fluoropurin-9-yl)-5-(trityloxymethyl)oxolane-3,4-diol
SMILESO[C@@H]1[C@H](O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1n1cnc2cnc(F)nc21
InChIInChI=1S/C29H25FN4O4/c30-28-31-16-22-26(33-28)34(18-32-22)27-25(36)24(35)23(38-27)17-37-29(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-16,18,23-25,27,35-36H,17H2/t23-,24-,25-,27-/m1/s1
InChIKeyQHEGPCJSSLAZOO-DLGLWYJGSA-N
MW512.54 g/mol
LogP3.59
Rot. Bonds7

About (2R,3R,4S,5R)-2-(2-fluoropurin-9-yl)-5-(trityloxymethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-(2-fluoropurin-9-yl)-5-(trityloxymethyl)oxolane-3,4-diol (PubChem CID 22861951) has the molecular formula C29H25FN4O4 and a molecular weight of 512.54 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(2-fluoropurin-9-yl)-5-(trityloxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-(2-fluoropurin-9-yl)-5-(trityloxymethyl)oxolane-3,4-diol
PubChem CID22861951
Molecular FormulaC29H25FN4O4
Molecular Weight512.54 g/mol
Exact Mass512.19
IUPAC Name(2R,3R,4S,5R)-2-(2-fluoropurin-9-yl)-5-(trityloxymethyl)oxolane-3,4-diol
SMILESO[C@@H]1[C@H](O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1n1cnc2cnc(F)nc21
InChIInChI=1S/C29H25FN4O4/c30-28-31-16-22-26(33-28)34(18-32-22)27-25(36)24(35)23(38-27)17-37-29(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-16,18,23-25,27,35-36H,17H2/t23-,24-,25-,27-/m1/s1
InChIKeyQHEGPCJSSLAZOO-DLGLWYJGSA-N
XLogP3.59
TPSA102.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.54
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (2R,3R,4S,5R)-2-(2-fluoropurin-9-yl)-5-(trityloxymethyl)oxolane-3,4-diol with MolForge

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Related Compounds

9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-1-propylpurin-6-one
CID 73236688
(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol
CID 67203435
9-[(2S,3S,4S,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dihydroxyoxolan-2-yl]-1H-purin-6-one
CID 136918250
(2R,3S,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-imidazo[2,1-f]purin-3-yloxolane-3,4-diol
CID 135368424
1-(cyclopropylmethyl)-9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]purin-6-one
CID 73236705
9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-1-prop-2-enylpurin-6-one
CID 73236689
4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 22795074
(2R,3R,4R,5R,6S)-3-iodo-6-(trityloxymethyl)oxane-2,4,5-triol
CID 171122589
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(3-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol
CID 23543114
(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluoro-5-(6-methylpurin-9-yl)oxolan-3-ol
CID 134322341
5-hydroxy-4-(trityloxymethyl)-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one
CID 618321
(2S,4S,5S,6R)-5-hydroxy-4-(trityloxymethyl)-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one
CID 102248388

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(2-fluoropurin-9-yl)-5-(trityloxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-(2-fluoropurin-9-yl)-5-(trityloxymethyl)oxolane-3,4-diol (CID 22861951) is (2R,3R,4S,5R)-2-(2-fluoropurin-9-yl)-5-(trityloxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-(2-fluoropurin-9-yl)-5-(trityloxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-(2-fluoropurin-9-yl)-5-(trityloxymethyl)oxolane-3,4-diol is O[C@@H]1[C@H](O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1n1cnc2cnc(F)nc21.
What is the InChIKey of (2R,3R,4S,5R)-2-(2-fluoropurin-9-yl)-5-(trityloxymethyl)oxolane-3,4-diol?
The InChIKey is QHEGPCJSSLAZOO-DLGLWYJGSA-N. The full InChI is InChI=1S/C29H25FN4O4/c30-28-31-16-22-26(33-28)34(18-32-22)27-25(36)24(35)23(38-27)17-37-29(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-16,18,23-25,27,35-36H,17H2/t23-,24-,25-,27-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-(2-fluoropurin-9-yl)-5-(trityloxymethyl)oxolane-3,4-diol?
(2R,3R,4S,5R)-2-(2-fluoropurin-9-yl)-5-(trityloxymethyl)oxolane-3,4-diol has a molecular weight of 512.54 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(2-fluoropurin-9-yl)-5-(trityloxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 22861951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).