(2R,3R)-1,2,3,5,7-pentahydroxyheptan-4-one

C7H14O6 — CID 56630304

IUPAC(2R,3R)-1,2,3,5,7-pentahydroxyheptan-4-one
SMILESO=C(C(O)CCO)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H14O6/c8-2-1-4(10)6(12)7(13)5(11)3-9/h4-5,7-11,13H,1-3H2/t4?,5-,7-/m1/s1
InChIKeyJSVONVVKUCYOBN-JXPXPQBSSA-N
MW194.18 g/mol
LogP-2.99
Rot. Bonds6

About (2R,3R)-1,2,3,5,7-pentahydroxyheptan-4-one

(2R,3R)-1,2,3,5,7-pentahydroxyheptan-4-one (PubChem CID 56630304) has the molecular formula C7H14O6 and a molecular weight of 194.18 g/mol. Its IUPAC name is (2R,3R)-1,2,3,5,7-pentahydroxyheptan-4-one.

Molecular Properties

Compound Name(2R,3R)-1,2,3,5,7-pentahydroxyheptan-4-one
PubChem CID56630304
Molecular FormulaC7H14O6
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name(2R,3R)-1,2,3,5,7-pentahydroxyheptan-4-one
SMILESO=C(C(O)CCO)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H14O6/c8-2-1-4(10)6(12)7(13)5(11)3-9/h4-5,7-11,13H,1-3H2/t4?,5-,7-/m1/s1
InChIKeyJSVONVVKUCYOBN-JXPXPQBSSA-N
XLogP-2.99
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-2.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4R,5R)-2,4,5,6-tetrahydroxy-1-(hydroxyamino)hexan-3-one
CID 54075465
(2R,3S,4S)-1,2,3,4,6-pentahydroxynonan-5-one
CID 141070842
(2S,4R,5S)-1-fluoro-1,2,4,5,6-pentahydroxyhexan-3-one
CID 54303435
(2S,3S,5R)-1,2,3,5,6-pentahydroxyheptan-4-one
CID 54092437
2,4,5,6-tetrahydroxy-3-oxohexanoic acid
CID 95
(4R,5R)-1-fluoro-1,2,4,5,6-pentahydroxyhexan-3-one
CID 54303436
(2R,4R,5S)-2,4,5,6-tetrahydroxy-1-(propylamino)hexan-3-one
CID 54195280
(9S,10R,11R)-7,9,10,11,12-pentahydroxy-8-oxododecanoic acid
CID 123563472
(5R,6S,7R)-3,5,6,7,8-pentahydroxyoctan-4-one
CID 141162248
(2R,3S)-2,3,4-trihydroxybutanoate
CID 162224671
(2R,3R,4R,6R,7R,8S)-1,2,3,4,6,7,8,9-octahydroxynonan-5-one
CID 54572556
(3S,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one
CID 118855885

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,2,3,5,7-pentahydroxyheptan-4-one?
The IUPAC name of (2R,3R)-1,2,3,5,7-pentahydroxyheptan-4-one (CID 56630304) is (2R,3R)-1,2,3,5,7-pentahydroxyheptan-4-one.
What is the SMILES notation for (2R,3R)-1,2,3,5,7-pentahydroxyheptan-4-one?
The canonical SMILES for (2R,3R)-1,2,3,5,7-pentahydroxyheptan-4-one is O=C(C(O)CCO)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R)-1,2,3,5,7-pentahydroxyheptan-4-one?
The InChIKey is JSVONVVKUCYOBN-JXPXPQBSSA-N. The full InChI is InChI=1S/C7H14O6/c8-2-1-4(10)6(12)7(13)5(11)3-9/h4-5,7-11,13H,1-3H2/t4?,5-,7-/m1/s1.
What are the key properties of (2R,3R)-1,2,3,5,7-pentahydroxyheptan-4-one?
(2R,3R)-1,2,3,5,7-pentahydroxyheptan-4-one has a molecular weight of 194.18 g/mol, XLogP of -2.99, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,2,3,5,7-pentahydroxyheptan-4-one is sourced from PubChem (CID 56630304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).