[5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite

C24H25FN5O6P — CID 144900626

IUPAC[5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite
SMILESCOc1ccc(OP(OCC2CC(F)C(n3cnc4c(N)ncnc43)O2)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C24H25FN5O6P/c1-31-15-3-7-17(8-4-15)35-37(36-18-9-5-16(32-2)6-10-18)33-12-19-11-20(25)24(34-19)30-14-29-21-22(26)27-13-28-23(21)30/h3-10,13-14,19-20,24H,11-12H2,1-2H3,(H2,26,27,28)
InChIKeyQPRNONDUVBBTPP-UHFFFAOYSA-N
MW529.47 g/mol
LogP4.45
Rot. Bonds10

About [5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite

[5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite (PubChem CID 144900626) has the molecular formula C24H25FN5O6P and a molecular weight of 529.47 g/mol. Its IUPAC name is [5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite.

Molecular Properties

Compound Name[5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite
PubChem CID144900626
Molecular FormulaC24H25FN5O6P
Molecular Weight529.47 g/mol
Exact Mass529.15
IUPAC Name[5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite
SMILESCOc1ccc(OP(OCC2CC(F)C(n3cnc4c(N)ncnc43)O2)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C24H25FN5O6P/c1-31-15-3-7-17(8-4-15)35-37(36-18-9-5-16(32-2)6-10-18)33-12-19-11-20(25)24(34-19)30-14-29-21-22(26)27-13-28-23(21)30/h3-10,13-14,19-20,24H,11-12H2,1-2H3,(H2,26,27,28)
InChIKeyQPRNONDUVBBTPP-UHFFFAOYSA-N
XLogP4.45
TPSA125.00 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphite
CID 138569278
[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3-deuterio-4-fluorooxolan-2-yl]methanol
CID 10858004
[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl propan-2-yl hydrogen phosphite
CID 144900448
2-chloro-9-[(3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
CID 144762805
methyl (2S)-2-[[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 155679792
methyl 2-[[[(4S,5R)-5-(6-aminopurin-9-yl)-4-methyloxolan-2-yl]methoxy-(4-chlorophenoxy)phosphanyl]amino]-2-methylpropanoate
CID 143327919
N-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methylsulfamoyl]-2-hydroxybenzamide
CID 122181504
9-[5-[(4-methoxyphenyl)methylsulfanylmethyl]oxolan-2-yl]purin-6-amine
CID 142801900
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(prop-1-en-2-yloxymethyl)oxolan-3-ol
CID 155058716
[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-(4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 11111800
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(1R)-1-(4-methoxyphenyl)ethoxy]methyl]oxolane-3,4-diol
CID 70869261
9-[3-hydroperoxy-5-(hydroperoxymethyl)oxolan-2-yl]purin-6-amine
CID 88990119

Frequently Asked Questions

What is the IUPAC name of [5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite?
The IUPAC name of [5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite (CID 144900626) is [5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite.
What is the SMILES notation for [5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite?
The canonical SMILES for [5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite is COc1ccc(OP(OCC2CC(F)C(n3cnc4c(N)ncnc43)O2)Oc2ccc(OC)cc2)cc1.
What is the InChIKey of [5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite?
The InChIKey is QPRNONDUVBBTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN5O6P/c1-31-15-3-7-17(8-4-15)35-37(36-18-9-5-16(32-2)6-10-18)33-12-19-11-20(25)24(34-19)30-14-29-21-22(26)27-13-28-23(21)30/h3-10,13-14,19-20,24H,11-12H2,1-2H3,(H2,26,27,28).
What are the key properties of [5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite?
[5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite has a molecular weight of 529.47 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite is sourced from PubChem (CID 144900626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).