(2R,3R)-3,4-bis(dihydroxyphosphinothioyloxy)butane-1,2-diol;tetrahydrate

C4H20O12P2S2 — CID 22884213

IUPAC(2R,3R)-3,4-bis(dihydroxyphosphinothioyloxy)butane-1,2-diol;tetrahydrate
SMILESO.O.O.O.OC[C@@H](O)[C@@H](COP(O)(O)=S)OP(O)(O)=S
InChIInChI=1S/C4H12O8P2S2.4H2O/c5-1-3(6)4(12-14(9,10)16)2-11-13(7,8)15;;;;/h3-6H,1-2H2,(H2,7,8,15)(H2,9,10,16);4*1H2/t3-,4-;;;;/m1..../s1
InChIKeyOAQIDHUEXSLQLP-NLTCHVQYSA-N
MW386.27 g/mol
LogP-5.14
Rot. Bonds7

About (2R,3R)-3,4-bis(dihydroxyphosphinothioyloxy)butane-1,2-diol;tetrahydrate

(2R,3R)-3,4-bis(dihydroxyphosphinothioyloxy)butane-1,2-diol;tetrahydrate (PubChem CID 22884213) has the molecular formula C4H20O12P2S2 and a molecular weight of 386.27 g/mol. Its IUPAC name is (2R,3R)-3,4-bis(dihydroxyphosphinothioyloxy)butane-1,2-diol;tetrahydrate.

Molecular Properties

Compound Name(2R,3R)-3,4-bis(dihydroxyphosphinothioyloxy)butane-1,2-diol;tetrahydrate
PubChem CID22884213
Molecular FormulaC4H20O12P2S2
Molecular Weight386.27 g/mol
Exact Mass385.99
IUPAC Name(2R,3R)-3,4-bis(dihydroxyphosphinothioyloxy)butane-1,2-diol;tetrahydrate
SMILESO.O.O.O.OC[C@@H](O)[C@@H](COP(O)(O)=S)OP(O)(O)=S
InChIInChI=1S/C4H12O8P2S2.4H2O/c5-1-3(6)4(12-14(9,10)16)2-11-13(7,8)15;;;;/h3-6H,1-2H2,(H2,7,8,15)(H2,9,10,16);4*1H2/t3-,4-;;;;/m1..../s1
InChIKeyOAQIDHUEXSLQLP-NLTCHVQYSA-N
XLogP-5.14
TPSA265.84 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.27
LogP ≤ 5-5.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3,4-bis(dihydroxyphosphinothioyloxy)butane-1,2-diol;tetrahydrate?
The IUPAC name of (2R,3R)-3,4-bis(dihydroxyphosphinothioyloxy)butane-1,2-diol;tetrahydrate (CID 22884213) is (2R,3R)-3,4-bis(dihydroxyphosphinothioyloxy)butane-1,2-diol;tetrahydrate.
What is the SMILES notation for (2R,3R)-3,4-bis(dihydroxyphosphinothioyloxy)butane-1,2-diol;tetrahydrate?
The canonical SMILES for (2R,3R)-3,4-bis(dihydroxyphosphinothioyloxy)butane-1,2-diol;tetrahydrate is O.O.O.O.OC[C@@H](O)[C@@H](COP(O)(O)=S)OP(O)(O)=S.
What is the InChIKey of (2R,3R)-3,4-bis(dihydroxyphosphinothioyloxy)butane-1,2-diol;tetrahydrate?
The InChIKey is OAQIDHUEXSLQLP-NLTCHVQYSA-N. The full InChI is InChI=1S/C4H12O8P2S2.4H2O/c5-1-3(6)4(12-14(9,10)16)2-11-13(7,8)15;;;;/h3-6H,1-2H2,(H2,7,8,15)(H2,9,10,16);4*1H2/t3-,4-;;;;/m1..../s1.
What are the key properties of (2R,3R)-3,4-bis(dihydroxyphosphinothioyloxy)butane-1,2-diol;tetrahydrate?
(2R,3R)-3,4-bis(dihydroxyphosphinothioyloxy)butane-1,2-diol;tetrahydrate has a molecular weight of 386.27 g/mol, XLogP of -5.14, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3,4-bis(dihydroxyphosphinothioyloxy)butane-1,2-diol;tetrahydrate is sourced from PubChem (CID 22884213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).