[(2R,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-2-(2-phosphonocyclopropyl)oxolan-3-yl]oxy-propan-2-ylphosphinate

C15H23N2O10P2- — CID 169205573

IUPAC[(2R,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-2-(2-phosphonocyclopropyl)oxolan-3-yl]oxy-propan-2-ylphosphinate
SMILESCO[C@H]1[C@@H](OP(=O)([O-])C(C)C)[C@@H](C2CC2P(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H24N2O10P2/c1-7(2)29(23,24)27-12-11(8-6-9(8)28(20,21)22)26-14(13(12)25-3)17-5-4-10(18)16-15(17)19/h4-5,7-9,11-14H,6H2,1-3H3,(H,23,24)(H,16,18,19)(H2,20,21,22)/p-1/t8?,9?,11-,12+,13+,14-/m1/s1
InChIKeyLFCUCZYRACKXTD-GLQDRFAKSA-M
MW453.30 g/mol
LogP-0.64
Rot. Bonds7

About [(2R,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-2-(2-phosphonocyclopropyl)oxolan-3-yl]oxy-propan-2-ylphosphinate

[(2R,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-2-(2-phosphonocyclopropyl)oxolan-3-yl]oxy-propan-2-ylphosphinate (PubChem CID 169205573) has the molecular formula C15H23N2O10P2- and a molecular weight of 453.30 g/mol. Its IUPAC name is [(2R,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-2-(2-phosphonocyclopropyl)oxolan-3-yl]oxy-propan-2-ylphosphinate.

Molecular Properties

Compound Name[(2R,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-2-(2-phosphonocyclopropyl)oxolan-3-yl]oxy-propan-2-ylphosphinate
PubChem CID169205573
Molecular FormulaC15H23N2O10P2-
Molecular Weight453.30 g/mol
Exact Mass453.08
IUPAC Name[(2R,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-2-(2-phosphonocyclopropyl)oxolan-3-yl]oxy-propan-2-ylphosphinate
SMILESCO[C@H]1[C@@H](OP(=O)([O-])C(C)C)[C@@H](C2CC2P(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H24N2O10P2/c1-7(2)29(23,24)27-12-11(8-6-9(8)28(20,21)22)26-14(13(12)25-3)17-5-4-10(18)16-15(17)19/h4-5,7-9,11-14H,6H2,1-3H3,(H,23,24)(H,16,18,19)(H2,20,21,22)/p-1/t8?,9?,11-,12+,13+,14-/m1/s1
InChIKeyLFCUCZYRACKXTD-GLQDRFAKSA-M
XLogP-0.64
TPSA180.21 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.30
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[2-[5-(2,4-dioxopyrimidin-1-yl)-3-[hydroxy(methyl)phosphinothioyl]oxy-4-methoxyoxolan-2-yl]cyclopropyl]phosphonic acid;ethane
CID 170630624
[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-2-(2-phosphonatocyclopropyl)oxolan-3-yl] propan-2-yl phosphate
CID 176803340
[(1S)-1-[(2S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethoxyoxolan-2-yl]ethyl] dihydrogen phosphate
CID 122600466
1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethoxyoxolan-2-yl]ethyl dihydrogen phosphate
CID 139337736
[(E)-2-[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[hydroxy(propan-2-yl)phosphoryl]oxy-4-methoxyoxolan-2-yl]ethenyl]phosphonic acid
CID 118933232
[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] dihydrogen phosphate
CID 153213214
1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethyl dihydrogen phosphate
CID 126576968
[(2R,3R,4R,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-methoxy-5-(phosphonooxymethyl)oxolan-3-yl]oxy-propan-2-ylphosphinic acid
CID 140911461
[(E)-[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[hydroxy(propan-2-yloxy)phosphoryl]oxy-4-methoxyoxolan-2-yl]iminomethyl]-methoxyphosphinic acid
CID 177266869
1-[(2S,4R)-2-(hydroxymethyl)-5-methoxy-3-oxabicyclo[4.1.0]heptan-4-yl]pyrimidine-2,4-dione
CID 174002533
1-[(2R,3S,5S)-5-[(1S)-1-hydroxyethyl]-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 174080126
CID 88572292
CID 88572292

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-2-(2-phosphonocyclopropyl)oxolan-3-yl]oxy-propan-2-ylphosphinate?
The IUPAC name of [(2R,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-2-(2-phosphonocyclopropyl)oxolan-3-yl]oxy-propan-2-ylphosphinate (CID 169205573) is [(2R,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-2-(2-phosphonocyclopropyl)oxolan-3-yl]oxy-propan-2-ylphosphinate.
What is the SMILES notation for [(2R,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-2-(2-phosphonocyclopropyl)oxolan-3-yl]oxy-propan-2-ylphosphinate?
The canonical SMILES for [(2R,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-2-(2-phosphonocyclopropyl)oxolan-3-yl]oxy-propan-2-ylphosphinate is CO[C@H]1[C@@H](OP(=O)([O-])C(C)C)[C@@H](C2CC2P(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O.
What is the InChIKey of [(2R,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-2-(2-phosphonocyclopropyl)oxolan-3-yl]oxy-propan-2-ylphosphinate?
The InChIKey is LFCUCZYRACKXTD-GLQDRFAKSA-M. The full InChI is InChI=1S/C15H24N2O10P2/c1-7(2)29(23,24)27-12-11(8-6-9(8)28(20,21)22)26-14(13(12)25-3)17-5-4-10(18)16-15(17)19/h4-5,7-9,11-14H,6H2,1-3H3,(H,23,24)(H,16,18,19)(H2,20,21,22)/p-1/t8?,9?,11-,12+,13+,14-/m1/s1.
What are the key properties of [(2R,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-2-(2-phosphonocyclopropyl)oxolan-3-yl]oxy-propan-2-ylphosphinate?
[(2R,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-2-(2-phosphonocyclopropyl)oxolan-3-yl]oxy-propan-2-ylphosphinate has a molecular weight of 453.30 g/mol, XLogP of -0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-2-(2-phosphonocyclopropyl)oxolan-3-yl]oxy-propan-2-ylphosphinate is sourced from PubChem (CID 169205573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).