(3S,4S,5R)-2-hydroxy-2-oxo-1,2lambda5-oxaphosphinane-3,4,5-triol

C4H9O6P — CID 10535473

IUPAC(3S,4S,5R)-2-hydroxy-2-oxo-1,2lambda5-oxaphosphinane-3,4,5-triol
SMILESO=P1(O)OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C4H9O6P/c5-2-1-10-11(8,9)4(7)3(2)6/h2-7H,1H2,(H,8,9)/t2-,3+,4+/m1/s1
InChIKeyAXPATDXAJKIVLI-UZBSEBFBSA-N
MW184.08 g/mol
LogP-1.76
Rot. Bonds

About (3S,4S,5R)-2-hydroxy-2-oxo-1,2lambda5-oxaphosphinane-3,4,5-triol

(3S,4S,5R)-2-hydroxy-2-oxo-1,2lambda5-oxaphosphinane-3,4,5-triol (PubChem CID 10535473) has the molecular formula C4H9O6P and a molecular weight of 184.08 g/mol. Its IUPAC name is (3S,4S,5R)-2-hydroxy-2-oxo-1,2lambda5-oxaphosphinane-3,4,5-triol.

Molecular Properties

Compound Name(3S,4S,5R)-2-hydroxy-2-oxo-1,2lambda5-oxaphosphinane-3,4,5-triol
PubChem CID10535473
Molecular FormulaC4H9O6P
Molecular Weight184.08 g/mol
Exact Mass184.01
IUPAC Name(3S,4S,5R)-2-hydroxy-2-oxo-1,2lambda5-oxaphosphinane-3,4,5-triol
SMILESO=P1(O)OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C4H9O6P/c5-2-1-10-11(8,9)4(7)3(2)6/h2-7H,1H2,(H,8,9)/t2-,3+,4+/m1/s1
InChIKeyAXPATDXAJKIVLI-UZBSEBFBSA-N
XLogP-1.76
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.08
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-dihydroxy-2-oxo-1,2λ5-oxaphospholane-3-carboxylic acid
CID 151519448
(6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphocan-7-ol
CID 44582844
(3S,5S)-2-hydroxy-3-methyl-2-oxo-1,2λ5-oxaphosphinan-5-amine
CID 101188020
(5R)-3,12-dihydroxy-3,12-dioxo-2,4,11,13-tetraoxa-3λ5,12λ5-diphosphatricyclo[12.5.0.05,10]nonadecane-6,7,8,9,15,16,17,19-octol
CID 143685478
(4S,5R)-oxane-2,3,4,5-tetrol
CID 71313478
(2S,3S,4S)-oxolane-2,3,4-triol
CID 10464337
(3S,4R)-(313C)oxolane-2,3,4-triol
CID 90472722
(4S)-oxane-2,3,4,5-tetrol
CID 135265936
2,5-dihydroxy-2,5-dioxo-1,2λ5,5λ5-oxadiphospholan-3-ol
CID 152624671
2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide
CID 154259848
2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)ethanamine
CID 152756492
2-methylideneoxane-3,4,5-triol
CID 18534363

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-2-hydroxy-2-oxo-1,2lambda5-oxaphosphinane-3,4,5-triol?
The IUPAC name of (3S,4S,5R)-2-hydroxy-2-oxo-1,2lambda5-oxaphosphinane-3,4,5-triol (CID 10535473) is (3S,4S,5R)-2-hydroxy-2-oxo-1,2lambda5-oxaphosphinane-3,4,5-triol.
What is the SMILES notation for (3S,4S,5R)-2-hydroxy-2-oxo-1,2lambda5-oxaphosphinane-3,4,5-triol?
The canonical SMILES for (3S,4S,5R)-2-hydroxy-2-oxo-1,2lambda5-oxaphosphinane-3,4,5-triol is O=P1(O)OC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (3S,4S,5R)-2-hydroxy-2-oxo-1,2lambda5-oxaphosphinane-3,4,5-triol?
The InChIKey is AXPATDXAJKIVLI-UZBSEBFBSA-N. The full InChI is InChI=1S/C4H9O6P/c5-2-1-10-11(8,9)4(7)3(2)6/h2-7H,1H2,(H,8,9)/t2-,3+,4+/m1/s1.
What are the key properties of (3S,4S,5R)-2-hydroxy-2-oxo-1,2lambda5-oxaphosphinane-3,4,5-triol?
(3S,4S,5R)-2-hydroxy-2-oxo-1,2lambda5-oxaphosphinane-3,4,5-triol has a molecular weight of 184.08 g/mol, XLogP of -1.76, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-2-hydroxy-2-oxo-1,2lambda5-oxaphosphinane-3,4,5-triol is sourced from PubChem (CID 10535473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).