trihydroxy-[(4-hydroxy-5-methyloxolan-2-yl)methoxy]phosphanium

C6H14O6P+ — CID 90227276

IUPACtrihydroxy-[(4-hydroxy-5-methyloxolan-2-yl)methoxy]phosphanium
SMILESCC1OC(CO[P+](O)(O)O)CC1O
InChIInChI=1S/C6H14O6P/c1-4-6(7)2-5(12-4)3-11-13(8,9)10/h4-10H,2-3H2,1H3/q+1
InChIKeyOCVHPUAVVPDCIP-UHFFFAOYSA-N
MW213.15 g/mol
LogP-0.80
Rot. Bonds3

About trihydroxy-[(4-hydroxy-5-methyloxolan-2-yl)methoxy]phosphanium

trihydroxy-[(4-hydroxy-5-methyloxolan-2-yl)methoxy]phosphanium (PubChem CID 90227276) has the molecular formula C6H14O6P+ and a molecular weight of 213.15 g/mol. Its IUPAC name is trihydroxy-[(4-hydroxy-5-methyloxolan-2-yl)methoxy]phosphanium.

Molecular Properties

Compound Nametrihydroxy-[(4-hydroxy-5-methyloxolan-2-yl)methoxy]phosphanium
PubChem CID90227276
Molecular FormulaC6H14O6P+
Molecular Weight213.15 g/mol
Exact Mass213.05
IUPAC Nametrihydroxy-[(4-hydroxy-5-methyloxolan-2-yl)methoxy]phosphanium
SMILESCC1OC(CO[P+](O)(O)O)CC1O
InChIInChI=1S/C6H14O6P/c1-4-6(7)2-5(12-4)3-11-13(8,9)10/h4-10H,2-3H2,1H3/q+1
InChIKeyOCVHPUAVVPDCIP-UHFFFAOYSA-N
XLogP-0.80
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trihydroxy-[(4-hydroxy-5-methyloxolan-2-yl)methoxy]phosphanium?
The IUPAC name of trihydroxy-[(4-hydroxy-5-methyloxolan-2-yl)methoxy]phosphanium (CID 90227276) is trihydroxy-[(4-hydroxy-5-methyloxolan-2-yl)methoxy]phosphanium.
What is the SMILES notation for trihydroxy-[(4-hydroxy-5-methyloxolan-2-yl)methoxy]phosphanium?
The canonical SMILES for trihydroxy-[(4-hydroxy-5-methyloxolan-2-yl)methoxy]phosphanium is CC1OC(CO[P+](O)(O)O)CC1O.
What is the InChIKey of trihydroxy-[(4-hydroxy-5-methyloxolan-2-yl)methoxy]phosphanium?
The InChIKey is OCVHPUAVVPDCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O6P/c1-4-6(7)2-5(12-4)3-11-13(8,9)10/h4-10H,2-3H2,1H3/q+1.
What are the key properties of trihydroxy-[(4-hydroxy-5-methyloxolan-2-yl)methoxy]phosphanium?
trihydroxy-[(4-hydroxy-5-methyloxolan-2-yl)methoxy]phosphanium has a molecular weight of 213.15 g/mol, XLogP of -0.80, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-[(4-hydroxy-5-methyloxolan-2-yl)methoxy]phosphanium is sourced from PubChem (CID 90227276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).