(3,3-dihydroxy-1,2,3λ5-dioxaphosphiran-3-yl) dihydrogen phosphate

H4O8P2 — CID 174539504

IUPAC(3,3-dihydroxy-1,2,3λ5-dioxaphosphiran-3-yl) dihydrogen phosphate
SMILESO=P(O)(O)OP1(O)(O)OO1
InChIInChI=1S/H4O8P2/c1-9(2,3)8-10(4,5)6-7-10/h4-5H,(H2,1,2,3)
InChIKeyDYWMNRKANLKSTC-UHFFFAOYSA-N
MW193.97 g/mol
LogP-0.83
Rot. Bonds2

About (3,3-dihydroxy-1,2,3λ5-dioxaphosphiran-3-yl) dihydrogen phosphate

(3,3-dihydroxy-1,2,3λ5-dioxaphosphiran-3-yl) dihydrogen phosphate (PubChem CID 174539504) has the molecular formula H4O8P2 and a molecular weight of 193.97 g/mol. Its IUPAC name is (3,3-dihydroxy-1,2,3λ5-dioxaphosphiran-3-yl) dihydrogen phosphate.

Molecular Properties

Compound Name(3,3-dihydroxy-1,2,3λ5-dioxaphosphiran-3-yl) dihydrogen phosphate
PubChem CID174539504
Molecular FormulaH4O8P2
Molecular Weight193.97 g/mol
Exact Mass193.94
IUPAC Name(3,3-dihydroxy-1,2,3λ5-dioxaphosphiran-3-yl) dihydrogen phosphate
SMILESO=P(O)(O)OP1(O)(O)OO1
InChIInChI=1S/H4O8P2/c1-9(2,3)8-10(4,5)6-7-10/h4-5H,(H2,1,2,3)
InChIKeyDYWMNRKANLKSTC-UHFFFAOYSA-N
XLogP-0.83
TPSA132.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.97
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 175273484
hydroxy dihydrogen phosphate;vanadium
CID 173088443
hafnium;phosphono dihydrogen phosphate
CID 173013366
phosphono dihydrogen phosphate;tellane
CID 174550958
phosphono dihydrogen phosphate;silver
CID 131872547
dialuminum;phosphono dihydrogen phosphate
CID 175801807
oxirane;phosphono dihydrogen phosphate
CID 88636604
iodo dihydrogen phosphate;silver
CID 173343017
azane;hydron;phosphono dihydrogen phosphate
CID 173267420
fluoro dihydrogen phosphate;platinum
CID 174846501
manganese;phosphono dihydrogen phosphate;phosphoric acid
CID 174967015
copper;phosphono dihydrogen phosphate;phosphoric acid
CID 173436835

Frequently Asked Questions

What is the IUPAC name of (3,3-dihydroxy-1,2,3λ5-dioxaphosphiran-3-yl) dihydrogen phosphate?
The IUPAC name of (3,3-dihydroxy-1,2,3λ5-dioxaphosphiran-3-yl) dihydrogen phosphate (CID 174539504) is (3,3-dihydroxy-1,2,3λ5-dioxaphosphiran-3-yl) dihydrogen phosphate.
What is the SMILES notation for (3,3-dihydroxy-1,2,3λ5-dioxaphosphiran-3-yl) dihydrogen phosphate?
The canonical SMILES for (3,3-dihydroxy-1,2,3λ5-dioxaphosphiran-3-yl) dihydrogen phosphate is O=P(O)(O)OP1(O)(O)OO1.
What is the InChIKey of (3,3-dihydroxy-1,2,3λ5-dioxaphosphiran-3-yl) dihydrogen phosphate?
The InChIKey is DYWMNRKANLKSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/H4O8P2/c1-9(2,3)8-10(4,5)6-7-10/h4-5H,(H2,1,2,3).
What are the key properties of (3,3-dihydroxy-1,2,3λ5-dioxaphosphiran-3-yl) dihydrogen phosphate?
(3,3-dihydroxy-1,2,3λ5-dioxaphosphiran-3-yl) dihydrogen phosphate has a molecular weight of 193.97 g/mol, XLogP of -0.83, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dihydroxy-1,2,3λ5-dioxaphosphiran-3-yl) dihydrogen phosphate is sourced from PubChem (CID 174539504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).