(1S,2R)-1-(2,5-dihydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)butane-1,2,4-triol

C7H15O8P — CID 24763921

IUPAC(1S,2R)-1-(2,5-dihydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)butane-1,2,4-triol
SMILESO=P1(O)OCC(O)([C@@H](O)[C@H](O)CCO)CO1
InChIInChI=1S/C7H15O8P/c8-2-1-5(9)6(10)7(11)3-14-16(12,13)15-4-7/h5-6,8-11H,1-4H2,(H,12,13)/t5-,6+/m1/s1
InChIKeyYAQAVWFZDPPYII-RITPCOANSA-N
MW258.16 g/mol
LogP-2.03
Rot. Bonds4

About (1S,2R)-1-(2,5-dihydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)butane-1,2,4-triol

(1S,2R)-1-(2,5-dihydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)butane-1,2,4-triol (PubChem CID 24763921) has the molecular formula C7H15O8P and a molecular weight of 258.16 g/mol. Its IUPAC name is (1S,2R)-1-(2,5-dihydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)butane-1,2,4-triol.

Molecular Properties

Compound Name(1S,2R)-1-(2,5-dihydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)butane-1,2,4-triol
PubChem CID24763921
Molecular FormulaC7H15O8P
Molecular Weight258.16 g/mol
Exact Mass258.05
IUPAC Name(1S,2R)-1-(2,5-dihydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)butane-1,2,4-triol
SMILESO=P1(O)OCC(O)([C@@H](O)[C@H](O)CCO)CO1
InChIInChI=1S/C7H15O8P/c8-2-1-5(9)6(10)7(11)3-14-16(12,13)15-4-7/h5-6,8-11H,1-4H2,(H,12,13)/t5-,6+/m1/s1
InChIKeyYAQAVWFZDPPYII-RITPCOANSA-N
XLogP-2.03
TPSA136.68 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 5-2.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

butane-1,3-diol
CID 159666523
2,6,10-trihydroxy-1,3,5,7,9,11-hexaoxa-2λ5,6λ5,10λ5-triphosphacyclododecane 2,6,10-trioxide
CID 172770499
2-hydroxy-1,3,5,2λ5-dioxazaphosphinane 2-oxide
CID 18697532
(3R)-heptane-1,3,4,6-tetrol
CID 89087097
heptane-1,2,3,4,5,7-hexol
CID 88922638
butane-1,3-diol;ethanol
CID 88835658
4,4-dichlorobutane-1,3-diol
CID 22137487
2-(hydroxymethyl)pentane-1,3,5-triol
CID 123357506
2,4,6-trihydroxy-3-methylhexanal
CID 118501629
(2S,3S,4R)-2,3,4,6-tetrahydroxyhexanoic acid
CID 91281326
5-amino-4-methylpentane-1,3-diol
CID 141480720
5,5-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanylmethyl)-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide
CID 163324548

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(2,5-dihydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)butane-1,2,4-triol?
The IUPAC name of (1S,2R)-1-(2,5-dihydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)butane-1,2,4-triol (CID 24763921) is (1S,2R)-1-(2,5-dihydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)butane-1,2,4-triol.
What is the SMILES notation for (1S,2R)-1-(2,5-dihydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)butane-1,2,4-triol?
The canonical SMILES for (1S,2R)-1-(2,5-dihydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)butane-1,2,4-triol is O=P1(O)OCC(O)([C@@H](O)[C@H](O)CCO)CO1.
What is the InChIKey of (1S,2R)-1-(2,5-dihydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)butane-1,2,4-triol?
The InChIKey is YAQAVWFZDPPYII-RITPCOANSA-N. The full InChI is InChI=1S/C7H15O8P/c8-2-1-5(9)6(10)7(11)3-14-16(12,13)15-4-7/h5-6,8-11H,1-4H2,(H,12,13)/t5-,6+/m1/s1.
What are the key properties of (1S,2R)-1-(2,5-dihydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)butane-1,2,4-triol?
(1S,2R)-1-(2,5-dihydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)butane-1,2,4-triol has a molecular weight of 258.16 g/mol, XLogP of -2.03, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(2,5-dihydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)butane-1,2,4-triol is sourced from PubChem (CID 24763921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).