[hydroxy-[hydroxy-[[(2R,3R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-methylphosphinic acid

C8H19O11P3 — CID 160945376

IUPAC[hydroxy-[hydroxy-[[(2R,3R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-methylphosphinic acid
SMILESCC1[C@H](C)O[C@H](COP(=O)(O)OP(=O)(O)OP(C)(=O)O)[C@@H]1O
InChIInChI=1S/C8H19O11P3/c1-5-6(2)17-7(8(5)9)4-16-21(12,13)19-22(14,15)18-20(3,10)11/h5-9H,4H2,1-3H3,(H,10,11)(H,12,13)(H,14,15)/t5?,6-,7+,8+/m0/s1
InChIKeySVAQHLKAPBOUSR-UNYLCCJPSA-N
MW384.15 g/mol
LogP0.84
Rot. Bonds7

About [hydroxy-[hydroxy-[[(2R,3R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-methylphosphinic acid

[hydroxy-[hydroxy-[[(2R,3R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-methylphosphinic acid (PubChem CID 160945376) has the molecular formula C8H19O11P3 and a molecular weight of 384.15 g/mol. Its IUPAC name is [hydroxy-[hydroxy-[[(2R,3R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-methylphosphinic acid.

Molecular Properties

Compound Name[hydroxy-[hydroxy-[[(2R,3R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-methylphosphinic acid
PubChem CID160945376
Molecular FormulaC8H19O11P3
Molecular Weight384.15 g/mol
Exact Mass384.01
IUPAC Name[hydroxy-[hydroxy-[[(2R,3R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-methylphosphinic acid
SMILESCC1[C@H](C)O[C@H](COP(=O)(O)OP(=O)(O)OP(C)(=O)O)[C@@H]1O
InChIInChI=1S/C8H19O11P3/c1-5-6(2)17-7(8(5)9)4-16-21(12,13)19-22(14,15)18-20(3,10)11/h5-9H,4H2,1-3H3,(H,10,11)(H,12,13)(H,14,15)/t5?,6-,7+,8+/m0/s1
InChIKeySVAQHLKAPBOUSR-UNYLCCJPSA-N
XLogP0.84
TPSA169.05 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.15
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[[[(2R,3S,5S)-4-dimethylphosphoryloxy-3-hydroxy-5-methyloxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-methylphosphinic acid
CID 118562740
[[(2R,4S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy(methoxy)phosphoryl] hydrogen phosphate
CID 164962940
[hydroxy-[[(2R,3S,4R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy]phosphinothioyl] phosphono hydrogen phosphate
CID 59408115
[(2R,3S,4S,5S)-2-(dihydroxyphosphinothioyloxymethyl)-4,5-dimethyloxolan-3-yl] [(2R,3S,4R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methyl hydrogen phosphate
CID 59408121
[(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl dihydrogen phosphate
CID 166808827
CID 22091074
CID 22091074
4,5-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
CID 122537677
CID 20816832
CID 20816832
[(2R,3R,5S)-3-[[(2R,3R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-4,5-dimethyloxolan-2-yl]methyl [(2R,3R,5S)-2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl] phosphate
CID 59154052
[(2R,3S,4S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphinic acid
CID 158256198
[[(2R,4S,5S)-4-(4,5-dimethyltriazol-1-yl)-3-hydroxy-5-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy(methoxy)phosphoryl] hydrogen phosphate
CID 164962942
CID 159251594
CID 159251594

Frequently Asked Questions

What is the IUPAC name of [hydroxy-[hydroxy-[[(2R,3R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-methylphosphinic acid?
The IUPAC name of [hydroxy-[hydroxy-[[(2R,3R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-methylphosphinic acid (CID 160945376) is [hydroxy-[hydroxy-[[(2R,3R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-methylphosphinic acid.
What is the SMILES notation for [hydroxy-[hydroxy-[[(2R,3R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-methylphosphinic acid?
The canonical SMILES for [hydroxy-[hydroxy-[[(2R,3R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-methylphosphinic acid is CC1[C@H](C)O[C@H](COP(=O)(O)OP(=O)(O)OP(C)(=O)O)[C@@H]1O.
What is the InChIKey of [hydroxy-[hydroxy-[[(2R,3R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-methylphosphinic acid?
The InChIKey is SVAQHLKAPBOUSR-UNYLCCJPSA-N. The full InChI is InChI=1S/C8H19O11P3/c1-5-6(2)17-7(8(5)9)4-16-21(12,13)19-22(14,15)18-20(3,10)11/h5-9H,4H2,1-3H3,(H,10,11)(H,12,13)(H,14,15)/t5?,6-,7+,8+/m0/s1.
What are the key properties of [hydroxy-[hydroxy-[[(2R,3R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-methylphosphinic acid?
[hydroxy-[hydroxy-[[(2R,3R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-methylphosphinic acid has a molecular weight of 384.15 g/mol, XLogP of 0.84, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-[hydroxy-[[(2R,3R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-methylphosphinic acid is sourced from PubChem (CID 160945376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).