bis(2-hydroxypropyl) sulfate

C6H14O6S — CID 175252820

IUPACbis(2-hydroxypropyl) sulfate
SMILESCC(O)COS(=O)(=O)OCC(C)O
InChIInChI=1S/C6H14O6S/c1-5(7)3-11-13(9,10)12-4-6(2)8/h5-8H,3-4H2,1-2H3
InChIKeyUCFKZOHMWNRTFD-UHFFFAOYSA-N
MW214.24 g/mol
LogP-0.97
Rot. Bonds6

About bis(2-hydroxypropyl) sulfate

bis(2-hydroxypropyl) sulfate (PubChem CID 175252820) has the molecular formula C6H14O6S and a molecular weight of 214.24 g/mol. Its IUPAC name is bis(2-hydroxypropyl) sulfate.

Molecular Properties

Compound Namebis(2-hydroxypropyl) sulfate
PubChem CID175252820
Molecular FormulaC6H14O6S
Molecular Weight214.24 g/mol
Exact Mass214.05
IUPAC Namebis(2-hydroxypropyl) sulfate
SMILESCC(O)COS(=O)(=O)OCC(C)O
InChIInChI=1S/C6H14O6S/c1-5(7)3-11-13(9,10)12-4-6(2)8/h5-8H,3-4H2,1-2H3
InChIKeyUCFKZOHMWNRTFD-UHFFFAOYSA-N
XLogP-0.97
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

sodium;hydride;2-hydroxypropyl 2-aminoethanesulfonate
CID 175347069
(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
2,2-dihydroxyethyl dodecyl sulfate
CID 57133153
ethyl 2-hydroxypropane-1-sulfonate
CID 87391609
sodium;hydride;2-hydroxypropyl N-(3,5-dimethylphenyl)sulfamate
CID 175132943
bis(2-hydroxy-3-prop-2-enoxypropyl) sulfate
CID 174573548
bis(2,9-dimethylpentadecyl) sulfate
CID 87858642
2,3-dihydroxypropyl octyl sulfate
CID 87621441
[(2R)-2-hydroxypropyl] nitrite
CID 150898470
dihydroxy-bis(2-hydroxypropoxy)phosphanium
CID 89292241
1-methoxypropan-2-ol chloride
CID 23303898
propane-1,2-diol;sulfuric acid
CID 173459589

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxypropyl) sulfate?
The IUPAC name of bis(2-hydroxypropyl) sulfate (CID 175252820) is bis(2-hydroxypropyl) sulfate.
What is the SMILES notation for bis(2-hydroxypropyl) sulfate?
The canonical SMILES for bis(2-hydroxypropyl) sulfate is CC(O)COS(=O)(=O)OCC(C)O.
What is the InChIKey of bis(2-hydroxypropyl) sulfate?
The InChIKey is UCFKZOHMWNRTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O6S/c1-5(7)3-11-13(9,10)12-4-6(2)8/h5-8H,3-4H2,1-2H3.
What are the key properties of bis(2-hydroxypropyl) sulfate?
bis(2-hydroxypropyl) sulfate has a molecular weight of 214.24 g/mol, XLogP of -0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxypropyl) sulfate is sourced from PubChem (CID 175252820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).