[(2R)-2,3-dihydroxypropyl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate

C13H21N2O10P — CID 10548758

IUPAC[(2R)-2,3-dihydroxypropyl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OC[C@H](O)CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C13H21N2O10P/c1-7-3-15(13(20)14-12(7)19)11-2-9(18)10(25-11)6-24-26(21,22)23-5-8(17)4-16/h3,8-11,16-18H,2,4-6H2,1H3,(H,21,22)(H,14,19,20)/t8-,9+,10-,11-/m1/s1
InChIKeySAEMNUCOZYETLT-LMLFDSFASA-N
MW396.29 g/mol
LogP-2.02
Rot. Bonds8

About [(2R)-2,3-dihydroxypropyl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate

[(2R)-2,3-dihydroxypropyl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate (PubChem CID 10548758) has the molecular formula C13H21N2O10P and a molecular weight of 396.29 g/mol. Its IUPAC name is [(2R)-2,3-dihydroxypropyl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate.

Molecular Properties

Compound Name[(2R)-2,3-dihydroxypropyl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
PubChem CID10548758
Molecular FormulaC13H21N2O10P
Molecular Weight396.29 g/mol
Exact Mass396.09
IUPAC Name[(2R)-2,3-dihydroxypropyl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OC[C@H](O)CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C13H21N2O10P/c1-7-3-15(13(20)14-12(7)19)11-2-9(18)10(25-11)6-24-26(21,22)23-5-8(17)4-16/h3,8-11,16-18H,2,4-6H2,1H3,(H,21,22)(H,14,19,20)/t8-,9+,10-,11-/m1/s1
InChIKeySAEMNUCOZYETLT-LMLFDSFASA-N
XLogP-2.02
TPSA180.54 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 5-2.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

bis[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] hydrogen phosphate
CID 3035025
2-hydroxyethyl [(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
CID 67262482
2-hydroxyethyl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
CID 175517559
(2,3-diamino-3-oxopropyl) [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
CID 101038719
[(2S,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
CID 92974145
[(2R,3R,5R)-3-hydroxy-5-(5-(113C)methyl-2,4-dioxo(2,4,5,6-13C4)pyrimidin-1-yl)(2,3,4,5-13C4)oxolan-2-yl](113C)methyl dihydrogen phosphate
CID 169494068
[(2S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 133126478
[(2R,3R,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 20711568
2-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyacetic acid
CID 10407385
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propan-2-yl hydrogen phosphate
CID 14769168
CID 18531019
CID 18531019
[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo(1,3-15N2)pyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
CID 169494030

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,3-dihydroxypropyl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate?
The IUPAC name of [(2R)-2,3-dihydroxypropyl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate (CID 10548758) is [(2R)-2,3-dihydroxypropyl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate.
What is the SMILES notation for [(2R)-2,3-dihydroxypropyl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate?
The canonical SMILES for [(2R)-2,3-dihydroxypropyl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate is Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OC[C@H](O)CO)O2)c(=O)[nH]c1=O.
What is the InChIKey of [(2R)-2,3-dihydroxypropyl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate?
The InChIKey is SAEMNUCOZYETLT-LMLFDSFASA-N. The full InChI is InChI=1S/C13H21N2O10P/c1-7-3-15(13(20)14-12(7)19)11-2-9(18)10(25-11)6-24-26(21,22)23-5-8(17)4-16/h3,8-11,16-18H,2,4-6H2,1H3,(H,21,22)(H,14,19,20)/t8-,9+,10-,11-/m1/s1.
What are the key properties of [(2R)-2,3-dihydroxypropyl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate?
[(2R)-2,3-dihydroxypropyl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate has a molecular weight of 396.29 g/mol, XLogP of -2.02, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,3-dihydroxypropyl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate is sourced from PubChem (CID 10548758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).