(2S)-butan-2-ol;(2S,3S,4R)-hexane-2,3,4-triol;(2R,3R,4S)-pentane-1,2,3,4-tetrol

C15H36O8 — CID 158918319

IUPAC(2S)-butan-2-ol;(2S,3S,4R)-hexane-2,3,4-triol;(2R,3R,4S)-pentane-1,2,3,4-tetrol
SMILESCC[C@@H](O)[C@@H](O)[C@H](C)O.CC[C@H](C)O.C[C@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C6H14O3.C5H12O4.C4H10O/c1-3-5(8)6(9)4(2)7;1-3(7)5(9)4(8)2-6;1-3-4(2)5/h4-9H,3H2,1-2H3;3-9H,2H2,1H3;4-5H,3H2,1-2H3/t4-,5+,6-;3-,4+,5+;4-/m000/s1
InChIKeyJHMZJAIMQVGGRZ-VXYJUOINSA-N
MW344.45 g/mol
LogP-1.64
Rot. Bonds7

About (2S)-butan-2-ol;(2S,3S,4R)-hexane-2,3,4-triol;(2R,3R,4S)-pentane-1,2,3,4-tetrol

(2S)-butan-2-ol;(2S,3S,4R)-hexane-2,3,4-triol;(2R,3R,4S)-pentane-1,2,3,4-tetrol (PubChem CID 158918319) has the molecular formula C15H36O8 and a molecular weight of 344.45 g/mol. Its IUPAC name is (2S)-butan-2-ol;(2S,3S,4R)-hexane-2,3,4-triol;(2R,3R,4S)-pentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2S)-butan-2-ol;(2S,3S,4R)-hexane-2,3,4-triol;(2R,3R,4S)-pentane-1,2,3,4-tetrol
PubChem CID158918319
Molecular FormulaC15H36O8
Molecular Weight344.45 g/mol
Exact Mass344.24
IUPAC Name(2S)-butan-2-ol;(2S,3S,4R)-hexane-2,3,4-triol;(2R,3R,4S)-pentane-1,2,3,4-tetrol
SMILESCC[C@@H](O)[C@@H](O)[C@H](C)O.CC[C@H](C)O.C[C@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C6H14O3.C5H12O4.C4H10O/c1-3-5(8)6(9)4(2)7;1-3(7)5(9)4(8)2-6;1-3-4(2)5/h4-9H,3H2,1-2H3;3-9H,2H2,1H3;4-5H,3H2,1-2H3/t4-,5+,6-;3-,4+,5+;4-/m000/s1
InChIKeyJHMZJAIMQVGGRZ-VXYJUOINSA-N
XLogP-1.64
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 5-1.64
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

(2S,3S,4R)-hexane-2,3,4-triol
CID 91758700
(3R,4R)-pentane-1,2,3,4-tetrol
CID 89370817
heptane-1,2,3,4,5-pentol
CID 21365644
(2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol
CID 118101621
(2S,3R,4S,5R)-heptane-2,3,4,5-tetrol
CID 118099468
pentane-1,2,3,4-tetrol;phosphoric acid
CID 174620761
(2R,3S)-pentane-1,2,3,4-tetrol;phosphoric acid
CID 159509366
(2S,3S)-pentane-1,2,3-triol
CID 11636797
pentane-1,2,3-triol
CID 547785
butan-2-ol;ethanol
CID 87396559
butan-2-ol;ethanol
CID 174347632
2-propan-2-ylheptane-1,3,4,5-tetrol
CID 118683322

Frequently Asked Questions

What is the IUPAC name of (2S)-butan-2-ol;(2S,3S,4R)-hexane-2,3,4-triol;(2R,3R,4S)-pentane-1,2,3,4-tetrol?
The IUPAC name of (2S)-butan-2-ol;(2S,3S,4R)-hexane-2,3,4-triol;(2R,3R,4S)-pentane-1,2,3,4-tetrol (CID 158918319) is (2S)-butan-2-ol;(2S,3S,4R)-hexane-2,3,4-triol;(2R,3R,4S)-pentane-1,2,3,4-tetrol.
What is the SMILES notation for (2S)-butan-2-ol;(2S,3S,4R)-hexane-2,3,4-triol;(2R,3R,4S)-pentane-1,2,3,4-tetrol?
The canonical SMILES for (2S)-butan-2-ol;(2S,3S,4R)-hexane-2,3,4-triol;(2R,3R,4S)-pentane-1,2,3,4-tetrol is CC[C@@H](O)[C@@H](O)[C@H](C)O.CC[C@H](C)O.C[C@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of (2S)-butan-2-ol;(2S,3S,4R)-hexane-2,3,4-triol;(2R,3R,4S)-pentane-1,2,3,4-tetrol?
The InChIKey is JHMZJAIMQVGGRZ-VXYJUOINSA-N. The full InChI is InChI=1S/C6H14O3.C5H12O4.C4H10O/c1-3-5(8)6(9)4(2)7;1-3(7)5(9)4(8)2-6;1-3-4(2)5/h4-9H,3H2,1-2H3;3-9H,2H2,1H3;4-5H,3H2,1-2H3/t4-,5+,6-;3-,4+,5+;4-/m000/s1.
What are the key properties of (2S)-butan-2-ol;(2S,3S,4R)-hexane-2,3,4-triol;(2R,3R,4S)-pentane-1,2,3,4-tetrol?
(2S)-butan-2-ol;(2S,3S,4R)-hexane-2,3,4-triol;(2R,3R,4S)-pentane-1,2,3,4-tetrol has a molecular weight of 344.45 g/mol, XLogP of -1.64, 7 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-butan-2-ol;(2S,3S,4R)-hexane-2,3,4-triol;(2R,3R,4S)-pentane-1,2,3,4-tetrol is sourced from PubChem (CID 158918319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).