2,6,10-trihydroxy-1,3,5,7,9,11-hexaoxa-2λ5,6λ5,10λ5-triphosphacyclododecane 2,6,10-trioxide

C3H9O12P3 — CID 172770499

IUPAC2,6,10-trihydroxy-1,3,5,7,9,11-hexaoxa-2λ5,6λ5,10λ5-triphosphacyclododecane 2,6,10-trioxide
SMILESO=P1(O)OCOP(=O)(O)OCOP(=O)(O)OCO1
InChIInChI=1S/C3H9O12P3/c4-16(5)10-1-11-17(6,7)13-3-15-18(8,9)14-2-12-16/h1-3H2,(H,4,5)(H,6,7)(H,8,9)
InChIKeyJVWJSUAXNUBHEF-UHFFFAOYSA-N
MW330.02 g/mol
LogP0.27
Rot. Bonds

About 2,6,10-trihydroxy-1,3,5,7,9,11-hexaoxa-2λ5,6λ5,10λ5-triphosphacyclododecane 2,6,10-trioxide

2,6,10-trihydroxy-1,3,5,7,9,11-hexaoxa-2λ5,6λ5,10λ5-triphosphacyclododecane 2,6,10-trioxide (PubChem CID 172770499) has the molecular formula C3H9O12P3 and a molecular weight of 330.02 g/mol. Its IUPAC name is 2,6,10-trihydroxy-1,3,5,7,9,11-hexaoxa-2λ5,6λ5,10λ5-triphosphacyclododecane 2,6,10-trioxide.

Molecular Properties

Compound Name2,6,10-trihydroxy-1,3,5,7,9,11-hexaoxa-2λ5,6λ5,10λ5-triphosphacyclododecane 2,6,10-trioxide
PubChem CID172770499
Molecular FormulaC3H9O12P3
Molecular Weight330.02 g/mol
Exact Mass329.93
IUPAC Name2,6,10-trihydroxy-1,3,5,7,9,11-hexaoxa-2λ5,6λ5,10λ5-triphosphacyclododecane 2,6,10-trioxide
SMILESO=P1(O)OCOP(=O)(O)OCOP(=O)(O)OCO1
InChIInChI=1S/C3H9O12P3/c4-16(5)10-1-11-17(6,7)13-3-15-18(8,9)14-2-12-16/h1-3H2,(H,4,5)(H,6,7)(H,8,9)
InChIKeyJVWJSUAXNUBHEF-UHFFFAOYSA-N
XLogP0.27
TPSA167.28 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.02
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2,4-dihydroxy-1,3,5,2λ5,4λ5-trioxadiphosphinane 2,4-dioxide
CID 18459455
2-hydroxy-1,3,5,2λ5-dioxazaphosphinane 2-oxide
CID 18697532
2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide
CID 154259848
9-hydroxy-1,2,3,4,5,6,7,8,10-nonaoxa-9λ5-phosphacyclododecane 9-oxide
CID 88624800
2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)ethanamine
CID 152756492
methanol;2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
CID 174239066
2-tert-butyl-1,3,2λ5-dioxaphosphetane 2-oxide
CID 165093317
2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphosphaspiro[3.3]heptane 2,6-dioxide
CID 141425610
CID 173204906
CID 173204906
1,2,3,4,5,6-hexahydroxy-1λ5,2λ5,3λ5,4λ5,5λ5,6λ5-hexaphosphinane 1,2,3,4,5,6-hexaoxide
CID 71369580
disodium;hydride;5-hydroxy-1,2,3,4,5λ5-tetraoxaphospholane 5-oxide
CID 173145201
(1S,2R)-1-(2,5-dihydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)butane-1,2,4-triol
CID 24763921

Frequently Asked Questions

What is the IUPAC name of 2,6,10-trihydroxy-1,3,5,7,9,11-hexaoxa-2λ5,6λ5,10λ5-triphosphacyclododecane 2,6,10-trioxide?
The IUPAC name of 2,6,10-trihydroxy-1,3,5,7,9,11-hexaoxa-2λ5,6λ5,10λ5-triphosphacyclododecane 2,6,10-trioxide (CID 172770499) is 2,6,10-trihydroxy-1,3,5,7,9,11-hexaoxa-2λ5,6λ5,10λ5-triphosphacyclododecane 2,6,10-trioxide.
What is the SMILES notation for 2,6,10-trihydroxy-1,3,5,7,9,11-hexaoxa-2λ5,6λ5,10λ5-triphosphacyclododecane 2,6,10-trioxide?
The canonical SMILES for 2,6,10-trihydroxy-1,3,5,7,9,11-hexaoxa-2λ5,6λ5,10λ5-triphosphacyclododecane 2,6,10-trioxide is O=P1(O)OCOP(=O)(O)OCOP(=O)(O)OCO1.
What is the InChIKey of 2,6,10-trihydroxy-1,3,5,7,9,11-hexaoxa-2λ5,6λ5,10λ5-triphosphacyclododecane 2,6,10-trioxide?
The InChIKey is JVWJSUAXNUBHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O12P3/c4-16(5)10-1-11-17(6,7)13-3-15-18(8,9)14-2-12-16/h1-3H2,(H,4,5)(H,6,7)(H,8,9).
What are the key properties of 2,6,10-trihydroxy-1,3,5,7,9,11-hexaoxa-2λ5,6λ5,10λ5-triphosphacyclododecane 2,6,10-trioxide?
2,6,10-trihydroxy-1,3,5,7,9,11-hexaoxa-2λ5,6λ5,10λ5-triphosphacyclododecane 2,6,10-trioxide has a molecular weight of 330.02 g/mol, XLogP of 0.27, 0 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10-trihydroxy-1,3,5,7,9,11-hexaoxa-2λ5,6λ5,10λ5-triphosphacyclododecane 2,6,10-trioxide is sourced from PubChem (CID 172770499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).