2,4-dihydroxy-1,3,5,2λ5,4λ5-trioxadiphosphinane 2,4-dioxide

CH4O7P2 — CID 18459455

IUPAC2,4-dihydroxy-1,3,5,2λ5,4λ5-trioxadiphosphinane 2,4-dioxide
SMILESO=P1(O)OCOP(=O)(O)O1
InChIInChI=1S/CH4O7P2/c2-9(3)6-1-7-10(4,5)8-9/h1H2,(H,2,3)(H,4,5)
InChIKeySEUNHIGMUCYVQJ-UHFFFAOYSA-N
MW189.98 g/mol
LogP0.21
Rot. Bonds

About 2,4-dihydroxy-1,3,5,2λ5,4λ5-trioxadiphosphinane 2,4-dioxide

2,4-dihydroxy-1,3,5,2λ5,4λ5-trioxadiphosphinane 2,4-dioxide (PubChem CID 18459455) has the molecular formula CH4O7P2 and a molecular weight of 189.98 g/mol. Its IUPAC name is 2,4-dihydroxy-1,3,5,2λ5,4λ5-trioxadiphosphinane 2,4-dioxide.

Molecular Properties

Compound Name2,4-dihydroxy-1,3,5,2λ5,4λ5-trioxadiphosphinane 2,4-dioxide
PubChem CID18459455
Molecular FormulaCH4O7P2
Molecular Weight189.98 g/mol
Exact Mass189.94
IUPAC Name2,4-dihydroxy-1,3,5,2λ5,4λ5-trioxadiphosphinane 2,4-dioxide
SMILESO=P1(O)OCOP(=O)(O)O1
InChIInChI=1S/CH4O7P2/c2-9(3)6-1-7-10(4,5)8-9/h1H2,(H,2,3)(H,4,5)
InChIKeySEUNHIGMUCYVQJ-UHFFFAOYSA-N
XLogP0.21
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.98
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6,10-trihydroxy-1,3,5,7,9,11-hexaoxa-2λ5,6λ5,10λ5-triphosphacyclododecane 2,6,10-trioxide
CID 172770499
methanol;2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
CID 174239066
4,6,8,10,12-pentahydroxy-2,4,6,8,10,12-hexaoxo-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecan-2-amine
CID 23036017
CID 173087948
CID 173087948
(6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphocan-7-ol
CID 44582844
2-hydroxy-1,3,5,2λ5-dioxazaphosphinane 2-oxide
CID 18697532
9-hydroxy-1,2,3,4,5,6,7,8,10-nonaoxa-9λ5-phosphacyclododecane 9-oxide
CID 88624800
O-(4,6,8,10,12-pentahydroxy-2,4,6,8,10,12-hexaoxo-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododec-2-yl)hydroxylamine
CID 173394555
2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)ethanamine
CID 152756492
2-oxa-1λ5,3λ5-diphosphabicyclo[1.1.0]butane 1,3-dioxide
CID 140978220
2-tert-butyl-1,3,2λ5-dioxaphosphetane 2-oxide
CID 165093317
4,6,11,13,18,20-hexahydroxy-20-methylidene-3,5,7,10,12,14,17,19,21-nonaoxa-4λ5,6λ5,11λ5,13λ5,18λ5,20λ5-hexaphosphatetracyclo[14.5.0.02,8.09,15]henicosane 4,6,11,13,18-pentaoxide
CID 118227607

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-1,3,5,2λ5,4λ5-trioxadiphosphinane 2,4-dioxide?
The IUPAC name of 2,4-dihydroxy-1,3,5,2λ5,4λ5-trioxadiphosphinane 2,4-dioxide (CID 18459455) is 2,4-dihydroxy-1,3,5,2λ5,4λ5-trioxadiphosphinane 2,4-dioxide.
What is the SMILES notation for 2,4-dihydroxy-1,3,5,2λ5,4λ5-trioxadiphosphinane 2,4-dioxide?
The canonical SMILES for 2,4-dihydroxy-1,3,5,2λ5,4λ5-trioxadiphosphinane 2,4-dioxide is O=P1(O)OCOP(=O)(O)O1.
What is the InChIKey of 2,4-dihydroxy-1,3,5,2λ5,4λ5-trioxadiphosphinane 2,4-dioxide?
The InChIKey is SEUNHIGMUCYVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O7P2/c2-9(3)6-1-7-10(4,5)8-9/h1H2,(H,2,3)(H,4,5).
What are the key properties of 2,4-dihydroxy-1,3,5,2λ5,4λ5-trioxadiphosphinane 2,4-dioxide?
2,4-dihydroxy-1,3,5,2λ5,4λ5-trioxadiphosphinane 2,4-dioxide has a molecular weight of 189.98 g/mol, XLogP of 0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-1,3,5,2λ5,4λ5-trioxadiphosphinane 2,4-dioxide is sourced from PubChem (CID 18459455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).