[(2R,3S,5S)-2-[hydroxy(methyl)phosphoryl]oxy-5-methyloxolan-3-yl]oxy-methylphosphinic acid

C7H16O7P2 — CID 118490859

IUPAC[(2R,3S,5S)-2-[hydroxy(methyl)phosphoryl]oxy-5-methyloxolan-3-yl]oxy-methylphosphinic acid
SMILESC[C@H]1C[C@H](OP(C)(=O)O)[C@@H](OP(C)(=O)O)O1
InChIInChI=1S/C7H16O7P2/c1-5-4-6(13-15(2,8)9)7(12-5)14-16(3,10)11/h5-7H,4H2,1-3H3,(H,8,9)(H,10,11)/t5-,6-,7+/m0/s1
InChIKeyQBPNPYNZFACTTM-LYFYHCNISA-N
MW274.15 g/mol
LogP1.15
Rot. Bonds4

About [(2R,3S,5S)-2-[hydroxy(methyl)phosphoryl]oxy-5-methyloxolan-3-yl]oxy-methylphosphinic acid

[(2R,3S,5S)-2-[hydroxy(methyl)phosphoryl]oxy-5-methyloxolan-3-yl]oxy-methylphosphinic acid (PubChem CID 118490859) has the molecular formula C7H16O7P2 and a molecular weight of 274.15 g/mol. Its IUPAC name is [(2R,3S,5S)-2-[hydroxy(methyl)phosphoryl]oxy-5-methyloxolan-3-yl]oxy-methylphosphinic acid.

Molecular Properties

Compound Name[(2R,3S,5S)-2-[hydroxy(methyl)phosphoryl]oxy-5-methyloxolan-3-yl]oxy-methylphosphinic acid
PubChem CID118490859
Molecular FormulaC7H16O7P2
Molecular Weight274.15 g/mol
Exact Mass274.04
IUPAC Name[(2R,3S,5S)-2-[hydroxy(methyl)phosphoryl]oxy-5-methyloxolan-3-yl]oxy-methylphosphinic acid
SMILESC[C@H]1C[C@H](OP(C)(=O)O)[C@@H](OP(C)(=O)O)O1
InChIInChI=1S/C7H16O7P2/c1-5-4-6(13-15(2,8)9)7(12-5)14-16(3,10)11/h5-7H,4H2,1-3H3,(H,8,9)(H,10,11)/t5-,6-,7+/m0/s1
InChIKeyQBPNPYNZFACTTM-LYFYHCNISA-N
XLogP1.15
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5S)-2-[hydroxy(methyl)phosphoryl]oxy-5-methyloxolan-3-yl]oxy-methylphosphinic acid?
The IUPAC name of [(2R,3S,5S)-2-[hydroxy(methyl)phosphoryl]oxy-5-methyloxolan-3-yl]oxy-methylphosphinic acid (CID 118490859) is [(2R,3S,5S)-2-[hydroxy(methyl)phosphoryl]oxy-5-methyloxolan-3-yl]oxy-methylphosphinic acid.
What is the SMILES notation for [(2R,3S,5S)-2-[hydroxy(methyl)phosphoryl]oxy-5-methyloxolan-3-yl]oxy-methylphosphinic acid?
The canonical SMILES for [(2R,3S,5S)-2-[hydroxy(methyl)phosphoryl]oxy-5-methyloxolan-3-yl]oxy-methylphosphinic acid is C[C@H]1C[C@H](OP(C)(=O)O)[C@@H](OP(C)(=O)O)O1.
What is the InChIKey of [(2R,3S,5S)-2-[hydroxy(methyl)phosphoryl]oxy-5-methyloxolan-3-yl]oxy-methylphosphinic acid?
The InChIKey is QBPNPYNZFACTTM-LYFYHCNISA-N. The full InChI is InChI=1S/C7H16O7P2/c1-5-4-6(13-15(2,8)9)7(12-5)14-16(3,10)11/h5-7H,4H2,1-3H3,(H,8,9)(H,10,11)/t5-,6-,7+/m0/s1.
What are the key properties of [(2R,3S,5S)-2-[hydroxy(methyl)phosphoryl]oxy-5-methyloxolan-3-yl]oxy-methylphosphinic acid?
[(2R,3S,5S)-2-[hydroxy(methyl)phosphoryl]oxy-5-methyloxolan-3-yl]oxy-methylphosphinic acid has a molecular weight of 274.15 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5S)-2-[hydroxy(methyl)phosphoryl]oxy-5-methyloxolan-3-yl]oxy-methylphosphinic acid is sourced from PubChem (CID 118490859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).