ethane-1,2-diol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;propane-1,2,3-triol

C11H28O11 — CID 161114526

IUPACethane-1,2-diol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;propane-1,2,3-triol
SMILESOCC(O)CO.OCCO.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C6H14O6.C3H8O3.C2H6O2/c7-1-3(9)5(11)6(12)4(10)2-8;4-1-3(6)2-5;3-1-2-4/h3-12H,1-2H2;3-6H,1-2H2;3-4H,1-2H2/t3-,4+,5-,6-;;/m1../s1
InChIKeyUKDDPPYSZSLAJG-MGXNYLRYSA-N
MW336.33 g/mol
LogP-6.28
Rot. Bonds8

About ethane-1,2-diol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;propane-1,2,3-triol

ethane-1,2-diol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;propane-1,2,3-triol (PubChem CID 161114526) has the molecular formula C11H28O11 and a molecular weight of 336.33 g/mol. Its IUPAC name is ethane-1,2-diol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;propane-1,2,3-triol.

Molecular Properties

Compound Nameethane-1,2-diol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;propane-1,2,3-triol
PubChem CID161114526
Molecular FormulaC11H28O11
Molecular Weight336.33 g/mol
Exact Mass336.16
IUPAC Nameethane-1,2-diol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;propane-1,2,3-triol
SMILESOCC(O)CO.OCCO.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C6H14O6.C3H8O3.C2H6O2/c7-1-3(9)5(11)6(12)4(10)2-8;4-1-3(6)2-5;3-1-2-4/h3-12H,1-2H2;3-6H,1-2H2;3-4H,1-2H2/t3-,4+,5-,6-;;/m1../s1
InChIKeyUKDDPPYSZSLAJG-MGXNYLRYSA-N
XLogP-6.28
TPSA222.53 Ų
H-Bond Donors11
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500336.33
LogP ≤ 5-6.28
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1011

Analyze ethane-1,2-diol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;propane-1,2,3-triol with MolForge

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Related Compounds

(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
CID 87266813
CID 87266813
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
(2S,3R)-butane-1,2,3,4-tetrol;propane-1,2,3-triol
CID 87640100
CID 158428296
CID 158428296
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
CID 88619828
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;methane
CID 159810925
hexane-1,2,3,4,5,6-hexol;propane-1,2,3-triol;prop-1-ene
CID 137407804

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;propane-1,2,3-triol?
The IUPAC name of ethane-1,2-diol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;propane-1,2,3-triol (CID 161114526) is ethane-1,2-diol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;propane-1,2,3-triol.
What is the SMILES notation for ethane-1,2-diol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;propane-1,2,3-triol?
The canonical SMILES for ethane-1,2-diol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;propane-1,2,3-triol is OCC(O)CO.OCCO.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.
What is the InChIKey of ethane-1,2-diol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;propane-1,2,3-triol?
The InChIKey is UKDDPPYSZSLAJG-MGXNYLRYSA-N. The full InChI is InChI=1S/C6H14O6.C3H8O3.C2H6O2/c7-1-3(9)5(11)6(12)4(10)2-8;4-1-3(6)2-5;3-1-2-4/h3-12H,1-2H2;3-6H,1-2H2;3-4H,1-2H2/t3-,4+,5-,6-;;/m1../s1.
What are the key properties of ethane-1,2-diol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;propane-1,2,3-triol?
ethane-1,2-diol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;propane-1,2,3-triol has a molecular weight of 336.33 g/mol, XLogP of -6.28, 8 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;propane-1,2,3-triol is sourced from PubChem (CID 161114526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).