[(2R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid

C14H20N5O8P — CID 163898551

IUPAC[(2R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid
SMILESO=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)N2CCOCC2)C(O)C1O
InChIInChI=1S/C14H20N5O8P/c20-10-8(5-26-28(23,24)18-1-3-25-4-2-18)27-14(11(10)21)19-7-17-9-12(19)15-6-16-13(9)22/h6-8,10-11,14,20-21H,1-5H2,(H,23,24)(H,15,16,22)/t8-,10?,11?,14-/m1/s1
InChIKeyQHUOFSRQMORNLV-BUTJNPDOSA-N
MW417.32 g/mol
LogP-1.81
Rot. Bonds5

About [(2R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid

[(2R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid (PubChem CID 163898551) has the molecular formula C14H20N5O8P and a molecular weight of 417.32 g/mol. Its IUPAC name is [(2R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid.

Molecular Properties

Compound Name[(2R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid
PubChem CID163898551
Molecular FormulaC14H20N5O8P
Molecular Weight417.32 g/mol
Exact Mass417.10
IUPAC Name[(2R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid
SMILESO=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)N2CCOCC2)C(O)C1O
InChIInChI=1S/C14H20N5O8P/c20-10-8(5-26-28(23,24)18-1-3-25-4-2-18)27-14(11(10)21)19-7-17-9-12(19)15-6-16-13(9)22/h6-8,10-11,14,20-21H,1-5H2,(H,23,24)(H,15,16,22)/t8-,10?,11?,14-/m1/s1
InChIKeyQHUOFSRQMORNLV-BUTJNPDOSA-N
XLogP-1.81
TPSA172.26 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.32
LogP ≤ 5-1.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid
CID 135446164
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)(2,3,4,5-13C4)oxolan-2-yl](113C)methyl dihydrogen phosphate
CID 170905175
bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
CID 135474546
[(2R,3R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate
CID 135533970
sodium [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate
CID 135494348
[(2R,3S,4R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate
CID 137317431
cobalt(3+);bis([3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate);tetrahydrate
CID 135534751
[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl] [[[[(2S,3R,4S,5S)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 135965802
[3-[[3-[[3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl [4-hydroxy-5-(6-oxo-1H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
CID 135508836
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl [(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate
CID 135449285
[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methylphosphonic acid
CID 135870282
[4-chloro-3-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 137092605

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid?
The IUPAC name of [(2R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid (CID 163898551) is [(2R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid.
What is the SMILES notation for [(2R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid?
The canonical SMILES for [(2R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid is O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)N2CCOCC2)C(O)C1O.
What is the InChIKey of [(2R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid?
The InChIKey is QHUOFSRQMORNLV-BUTJNPDOSA-N. The full InChI is InChI=1S/C14H20N5O8P/c20-10-8(5-26-28(23,24)18-1-3-25-4-2-18)27-14(11(10)21)19-7-17-9-12(19)15-6-16-13(9)22/h6-8,10-11,14,20-21H,1-5H2,(H,23,24)(H,15,16,22)/t8-,10?,11?,14-/m1/s1.
What are the key properties of [(2R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid?
[(2R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid has a molecular weight of 417.32 g/mol, XLogP of -1.81, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid is sourced from PubChem (CID 163898551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).