(2R,3S,4R)-1,2,3,4-tetrahydroxynonan-5-one

C9H18O5 — CID 141072155

IUPAC(2R,3S,4R)-1,2,3,4-tetrahydroxynonan-5-one
SMILESCCCCC(=O)[C@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C9H18O5/c1-2-3-4-6(11)8(13)9(14)7(12)5-10/h7-10,12-14H,2-5H2,1H3/t7-,8+,9+/m1/s1
InChIKeyCQAKEKFVLUSVFK-VGMNWLOBSA-N
MW206.24 g/mol
LogP-1.18
Rot. Bonds7

About (2R,3S,4R)-1,2,3,4-tetrahydroxynonan-5-one

(2R,3S,4R)-1,2,3,4-tetrahydroxynonan-5-one (PubChem CID 141072155) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2R,3S,4R)-1,2,3,4-tetrahydroxynonan-5-one.

Molecular Properties

Compound Name(2R,3S,4R)-1,2,3,4-tetrahydroxynonan-5-one
PubChem CID141072155
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name(2R,3S,4R)-1,2,3,4-tetrahydroxynonan-5-one
SMILESCCCCC(=O)[C@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C9H18O5/c1-2-3-4-6(11)8(13)9(14)7(12)5-10/h7-10,12-14H,2-5H2,1H3/t7-,8+,9+/m1/s1
InChIKeyCQAKEKFVLUSVFK-VGMNWLOBSA-N
XLogP-1.18
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(6R,7S,8S,9R)-6,7,8,9,10-pentahydroxydecan-5-one
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(2R,3R,4S,5S)-1,2,3,4,5-pentahydroxytridecan-6-one
CID 87273636
(2R,3R,4S,5S)-1,2,3,4,5-pentahydroxydodecan-6-one
CID 163366048
(2R,3S,4S,5R)-1,2,3,4,5-pentahydroxyoctadecan-6-one
CID 118678688
(2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxytetracosan-7-one
CID 141256889
(2R,3R,4S,5R)-1,2,3,4,5,6-hexahydroxypentadecan-7-one
CID 175836941
oxalonitrile;1,2,3,4,5-pentahydroxyundecan-6-one
CID 175060803
[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl] pentanoate
CID 87655111
(2R,3R)-1,2,3-trihydroxynonadecan-4-one
CID 129379361
(3S)-1,2,3-trihydroxynonadecan-4-one
CID 87183242
(2R,3S)-1,2,3-trihydroxynonadecan-4-one
CID 129379360

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-1,2,3,4-tetrahydroxynonan-5-one?
The IUPAC name of (2R,3S,4R)-1,2,3,4-tetrahydroxynonan-5-one (CID 141072155) is (2R,3S,4R)-1,2,3,4-tetrahydroxynonan-5-one.
What is the SMILES notation for (2R,3S,4R)-1,2,3,4-tetrahydroxynonan-5-one?
The canonical SMILES for (2R,3S,4R)-1,2,3,4-tetrahydroxynonan-5-one is CCCCC(=O)[C@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R)-1,2,3,4-tetrahydroxynonan-5-one?
The InChIKey is CQAKEKFVLUSVFK-VGMNWLOBSA-N. The full InChI is InChI=1S/C9H18O5/c1-2-3-4-6(11)8(13)9(14)7(12)5-10/h7-10,12-14H,2-5H2,1H3/t7-,8+,9+/m1/s1.
What are the key properties of (2R,3S,4R)-1,2,3,4-tetrahydroxynonan-5-one?
(2R,3S,4R)-1,2,3,4-tetrahydroxynonan-5-one has a molecular weight of 206.24 g/mol, XLogP of -1.18, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-1,2,3,4-tetrahydroxynonan-5-one is sourced from PubChem (CID 141072155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).