hydroxy-[[[[(2R,5S)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]methyl]phosphinate

C7H14O11P3-3 — CID 159122969

IUPAChydroxy-[[[[(2R,5S)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]methyl]phosphinate
SMILESC[C@H]1CC(O)[C@@H](COP(=O)([O-])OP(=O)([O-])CP(=O)([O-])O)O1
InChIInChI=1S/C7H17O11P3/c1-5-2-6(8)7(17-5)3-16-21(14,15)18-20(12,13)4-19(9,10)11/h5-8H,2-4H2,1H3,(H,12,13)(H,14,15)(H2,9,10,11)/p-3/t5-,6?,7+/m0/s1
InChIKeyKFXVLBPBWWLODW-REJBHVJUSA-K
MW367.10 g/mol
LogP-1.92
Rot. Bonds7

About hydroxy-[[[[(2R,5S)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]methyl]phosphinate

hydroxy-[[[[(2R,5S)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]methyl]phosphinate (PubChem CID 159122969) has the molecular formula C7H14O11P3-3 and a molecular weight of 367.10 g/mol. Its IUPAC name is hydroxy-[[[[(2R,5S)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]methyl]phosphinate.

Molecular Properties

Compound Namehydroxy-[[[[(2R,5S)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]methyl]phosphinate
PubChem CID159122969
Molecular FormulaC7H14O11P3-3
Molecular Weight367.10 g/mol
Exact Mass366.98
IUPAC Namehydroxy-[[[[(2R,5S)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]methyl]phosphinate
SMILESC[C@H]1CC(O)[C@@H](COP(=O)([O-])OP(=O)([O-])CP(=O)([O-])O)O1
InChIInChI=1S/C7H17O11P3/c1-5-2-6(8)7(17-5)3-16-21(14,15)18-20(12,13)4-19(9,10)11/h5-8H,2-4H2,1H3,(H,12,13)(H,14,15)(H2,9,10,11)/p-3/t5-,6?,7+/m0/s1
InChIKeyKFXVLBPBWWLODW-REJBHVJUSA-K
XLogP-1.92
TPSA188.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.10
LogP ≤ 5-1.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(3-hydroxy-5-methyloxolan-2-yl)methyl dihydrogen phosphate
CID 23594182
[[(3-methoxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
CID 59137937
[[(2R,5S)-3-hydroxy-5-methyloxolan-2-yl]methylamino]-[oxido(phosphonatooxy)phosphoryl]oxyphosphinate
CID 59905576
2-[[[2-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-methyloxolan-3-ol
CID 22894603
[10-azidodecoxy(hydroxy)phosphoryl] [hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2S,5R)-3-hydroxy-5-methyloxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] hydrogen phosphate
CID 140846449
[11-azidoundecoxy(hydroxy)phosphoryl] [hydroxy-[hydroxy-[hydroxy-[hydroxy-[(3-hydroxy-5-methyloxolan-2-yl)methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] hydrogen phosphate
CID 155648275
trisodium;[[[(2R,3S,5R)-3-hydroxy-5-(4-hydroxyphenyl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
CID 11049564
2-[[hydroxy-[2-(hydroxymethyl)-5-methyloxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-methyloxolan-3-ol
CID 22894604
N-[[(2R,5S)-3-hydroxy-5-methyloxolan-2-yl]methyl]-[hydroxy(phosphonooxy)phosphoryl]oxyphosphonamidic acid
CID 59905577
CID 158393063
CID 158393063
(2R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 88979913
(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59795765

Frequently Asked Questions

What is the IUPAC name of hydroxy-[[[[(2R,5S)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]methyl]phosphinate?
The IUPAC name of hydroxy-[[[[(2R,5S)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]methyl]phosphinate (CID 159122969) is hydroxy-[[[[(2R,5S)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]methyl]phosphinate.
What is the SMILES notation for hydroxy-[[[[(2R,5S)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]methyl]phosphinate?
The canonical SMILES for hydroxy-[[[[(2R,5S)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]methyl]phosphinate is C[C@H]1CC(O)[C@@H](COP(=O)([O-])OP(=O)([O-])CP(=O)([O-])O)O1.
What is the InChIKey of hydroxy-[[[[(2R,5S)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]methyl]phosphinate?
The InChIKey is KFXVLBPBWWLODW-REJBHVJUSA-K. The full InChI is InChI=1S/C7H17O11P3/c1-5-2-6(8)7(17-5)3-16-21(14,15)18-20(12,13)4-19(9,10)11/h5-8H,2-4H2,1H3,(H,12,13)(H,14,15)(H2,9,10,11)/p-3/t5-,6?,7+/m0/s1.
What are the key properties of hydroxy-[[[[(2R,5S)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]methyl]phosphinate?
hydroxy-[[[[(2R,5S)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]methyl]phosphinate has a molecular weight of 367.10 g/mol, XLogP of -1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[[[[(2R,5S)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]methyl]phosphinate is sourced from PubChem (CID 159122969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).