acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;ethane

C14H21FN5O5P — CID 169190106

IUPACacetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;ethane
SMILESC#C.CC.Nc1nc(F)nc2c1ncn2C1CCC(COP(=O)(O)O)O1
InChIInChI=1S/C10H13FN5O5P.C2H6.C2H2/c11-10-14-8(12)7-9(15-10)16(4-13-7)6-2-1-5(21-6)3-20-22(17,18)19;2*1-2/h4-6H,1-3H2,(H2,12,14,15)(H2,17,18,19);1-2H3;1-2H
InChIKeyCFOGUMVPNQUOHM-UHFFFAOYSA-N
MW389.32 g/mol
LogP1.61
Rot. Bonds4

About acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;ethane

acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;ethane (PubChem CID 169190106) has the molecular formula C14H21FN5O5P and a molecular weight of 389.32 g/mol. Its IUPAC name is acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;ethane.

Molecular Properties

Compound Nameacetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;ethane
PubChem CID169190106
Molecular FormulaC14H21FN5O5P
Molecular Weight389.32 g/mol
Exact Mass389.13
IUPAC Nameacetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;ethane
SMILESC#C.CC.Nc1nc(F)nc2c1ncn2C1CCC(COP(=O)(O)O)O1
InChIInChI=1S/C10H13FN5O5P.C2H6.C2H2/c11-10-14-8(12)7-9(15-10)16(4-13-7)6-2-1-5(21-6)3-20-22(17,18)19;2*1-2/h4-6H,1-3H2,(H2,12,14,15)(H2,17,18,19);1-2H3;1-2H
InChIKeyCFOGUMVPNQUOHM-UHFFFAOYSA-N
XLogP1.61
TPSA145.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 145281051
[(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 153392880
[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl tetradecanoate
CID 166754337
[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;butane;ethane;pentan-2-ol
CID 145362148
[(2R,3S,4S,5S)-5-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 42066898
[(2R,3S,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;methane
CID 162113906
lithium;[(2R,3S,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;hydride
CID 173126813
CID 131872177
CID 131872177
sodium [[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 46176227
[(2S,5R)-5-[6-(2-methoxyethyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
CID 155703606
[1-[[(5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)oxolan-2-yl]methoxy]-2-ethoxy-2-oxoethyl]phosphonic acid
CID 156543824
acetylene;[5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methyl tetradecanoate;ethane
CID 156861166

Frequently Asked Questions

What is the IUPAC name of acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;ethane?
The IUPAC name of acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;ethane (CID 169190106) is acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;ethane.
What is the SMILES notation for acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;ethane?
The canonical SMILES for acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;ethane is C#C.CC.Nc1nc(F)nc2c1ncn2C1CCC(COP(=O)(O)O)O1.
What is the InChIKey of acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;ethane?
The InChIKey is CFOGUMVPNQUOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN5O5P.C2H6.C2H2/c11-10-14-8(12)7-9(15-10)16(4-13-7)6-2-1-5(21-6)3-20-22(17,18)19;2*1-2/h4-6H,1-3H2,(H2,12,14,15)(H2,17,18,19);1-2H3;1-2H.
What are the key properties of acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;ethane?
acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;ethane has a molecular weight of 389.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;ethane is sourced from PubChem (CID 169190106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).