methanol;2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide

CH7O10P3 — CID 174239066

IUPACmethanol;2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
SMILESCO.O=P1(O)OP(=O)(O)OP(=O)(O)O1
InChIInChI=1S/CH4O.H3O9P3/c1-2;1-10(2)7-11(3,4)9-12(5,6)8-10/h2H,1H3;(H,1,2)(H,3,4)(H,5,6)
InChIKeyPKRDYWWPVSJMII-UHFFFAOYSA-N
MW271.98 g/mol
LogP-0.04
Rot. Bonds

About methanol;2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide

methanol;2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide (PubChem CID 174239066) has the molecular formula CH7O10P3 and a molecular weight of 271.98 g/mol. Its IUPAC name is methanol;2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide.

Molecular Properties

Compound Namemethanol;2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
PubChem CID174239066
Molecular FormulaCH7O10P3
Molecular Weight271.98 g/mol
Exact Mass271.93
IUPAC Namemethanol;2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
SMILESCO.O=P1(O)OP(=O)(O)OP(=O)(O)O1
InChIInChI=1S/CH4O.H3O9P3/c1-2;1-10(2)7-11(3,4)9-12(5,6)8-10/h2H,1H3;(H,1,2)(H,3,4)(H,5,6)
InChIKeyPKRDYWWPVSJMII-UHFFFAOYSA-N
XLogP-0.04
TPSA159.82 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.98
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanol;2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide?
The IUPAC name of methanol;2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide (CID 174239066) is methanol;2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide.
What is the SMILES notation for methanol;2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide?
The canonical SMILES for methanol;2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide is CO.O=P1(O)OP(=O)(O)OP(=O)(O)O1.
What is the InChIKey of methanol;2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide?
The InChIKey is PKRDYWWPVSJMII-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O.H3O9P3/c1-2;1-10(2)7-11(3,4)9-12(5,6)8-10/h2H,1H3;(H,1,2)(H,3,4)(H,5,6).
What are the key properties of methanol;2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide?
methanol;2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide has a molecular weight of 271.98 g/mol, XLogP of -0.04, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide is sourced from PubChem (CID 174239066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).