[(2R,4S,5R)-5-amino-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,5R)-5-amino-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate

C11H23N2O9P — CID 118524193

IUPAC[(2R,4S,5R)-5-amino-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,5R)-5-amino-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
SMILESCO[C@H]1C(OP(=O)(O)OC[C@H]2O[C@@H](N)CC2O)[C@@H](CO)O[C@H]1N
InChIInChI=1S/C11H23N2O9P/c1-18-10-9(6(3-14)21-11(10)13)22-23(16,17)19-4-7-5(15)2-8(12)20-7/h5-11,14-15H,2-4,12-13H2,1H3,(H,16,17)/t5?,6-,7-,8-,9?,10+,11-/m1/s1
InChIKeyMVPFRJAITZKFGG-RMLHSOLXSA-N
MW358.28 g/mol
LogP-2.39
Rot. Bonds7

About [(2R,4S,5R)-5-amino-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,5R)-5-amino-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate

[(2R,4S,5R)-5-amino-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,5R)-5-amino-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate (PubChem CID 118524193) has the molecular formula C11H23N2O9P and a molecular weight of 358.28 g/mol. Its IUPAC name is [(2R,4S,5R)-5-amino-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,5R)-5-amino-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate.

Molecular Properties

Compound Name[(2R,4S,5R)-5-amino-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,5R)-5-amino-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
PubChem CID118524193
Molecular FormulaC11H23N2O9P
Molecular Weight358.28 g/mol
Exact Mass358.11
IUPAC Name[(2R,4S,5R)-5-amino-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,5R)-5-amino-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
SMILESCO[C@H]1C(OP(=O)(O)OC[C@H]2O[C@@H](N)CC2O)[C@@H](CO)O[C@H]1N
InChIInChI=1S/C11H23N2O9P/c1-18-10-9(6(3-14)21-11(10)13)22-23(16,17)19-4-7-5(15)2-8(12)20-7/h5-11,14-15H,2-4,12-13H2,1H3,(H,16,17)/t5?,6-,7-,8-,9?,10+,11-/m1/s1
InChIKeyMVPFRJAITZKFGG-RMLHSOLXSA-N
XLogP-2.39
TPSA175.95 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 5-2.39
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

[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
CID 102395866
[(2R,5R)-5-(aminomethylideneamino)-2-(hydroxymethyl)oxolan-3-yl] [(2R,5R)-5-(aminomethylideneamino)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 174033171
[5-amino-2-[[[5-amino-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] (5-amino-3-hydroxyoxolan-2-yl)methyl hydrogen phosphate;2-amino-3,7-dihydropurine-6-thione
CID 174977825
2-[[hydroxy-[2-(hydroxymethyl)-5-methyloxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-methyloxolan-3-ol
CID 22894604
CID 164706434
CID 164706434
[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate
CID 162861933
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] hydrogen phosphate
CID 504581
[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
CID 11967651
2-[[(2R,3R,4R,5S)-4,5-bis[[carboxymethoxy(hydroxy)phosphoryl]oxy]-6-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-hydroxyphosphoryl]oxyacetic acid
CID 54245310
(3-hydroxy-5-methyloxolan-2-yl)methyl dihydrogen phosphate
CID 23594182
CID 88543139
CID 88543139
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
CID 23657501

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5R)-5-amino-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,5R)-5-amino-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate?
The IUPAC name of [(2R,4S,5R)-5-amino-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,5R)-5-amino-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate (CID 118524193) is [(2R,4S,5R)-5-amino-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,5R)-5-amino-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate.
What is the SMILES notation for [(2R,4S,5R)-5-amino-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,5R)-5-amino-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate?
The canonical SMILES for [(2R,4S,5R)-5-amino-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,5R)-5-amino-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate is CO[C@H]1C(OP(=O)(O)OC[C@H]2O[C@@H](N)CC2O)[C@@H](CO)O[C@H]1N.
What is the InChIKey of [(2R,4S,5R)-5-amino-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,5R)-5-amino-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate?
The InChIKey is MVPFRJAITZKFGG-RMLHSOLXSA-N. The full InChI is InChI=1S/C11H23N2O9P/c1-18-10-9(6(3-14)21-11(10)13)22-23(16,17)19-4-7-5(15)2-8(12)20-7/h5-11,14-15H,2-4,12-13H2,1H3,(H,16,17)/t5?,6-,7-,8-,9?,10+,11-/m1/s1.
What are the key properties of [(2R,4S,5R)-5-amino-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,5R)-5-amino-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate?
[(2R,4S,5R)-5-amino-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,5R)-5-amino-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate has a molecular weight of 358.28 g/mol, XLogP of -2.39, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5R)-5-amino-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,5R)-5-amino-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate is sourced from PubChem (CID 118524193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).