(6R,7S,8S,9R)-6,7,8,9,10-pentahydroxydecan-5-one

C10H20O6 — CID 139765419

IUPAC(6R,7S,8S,9R)-6,7,8,9,10-pentahydroxydecan-5-one
SMILESCCCCC(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C10H20O6/c1-2-3-4-6(12)8(14)10(16)9(15)7(13)5-11/h7-11,13-16H,2-5H2,1H3/t7-,8+,9+,10-/m1/s1
InChIKeyUMUCGIKAVGXPKH-XFWSIPNHSA-N
MW236.26 g/mol
LogP-1.82
Rot. Bonds8

About (6R,7S,8S,9R)-6,7,8,9,10-pentahydroxydecan-5-one

(6R,7S,8S,9R)-6,7,8,9,10-pentahydroxydecan-5-one (PubChem CID 139765419) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is (6R,7S,8S,9R)-6,7,8,9,10-pentahydroxydecan-5-one.

Molecular Properties

Compound Name(6R,7S,8S,9R)-6,7,8,9,10-pentahydroxydecan-5-one
PubChem CID139765419
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name(6R,7S,8S,9R)-6,7,8,9,10-pentahydroxydecan-5-one
SMILESCCCCC(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C10H20O6/c1-2-3-4-6(12)8(14)10(16)9(15)7(13)5-11/h7-11,13-16H,2-5H2,1H3/t7-,8+,9+,10-/m1/s1
InChIKeyUMUCGIKAVGXPKH-XFWSIPNHSA-N
XLogP-1.82
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-1.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (6R,7S,8S,9R)-6,7,8,9,10-pentahydroxydecan-5-one with MolForge

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Related Compounds

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CID 141072155
(2R,3S,4S,5R)-1,2,3,4,5-pentahydroxyoctadecan-6-one
CID 118678688
1,2,3,4,5-pentahydroxytetracosan-6-one
CID 174434517
(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,3R,4S,5R)-1,2,3,4,5,6-hexahydroxypentadecan-7-one
CID 175836941
(2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxytetracosan-7-one
CID 141256889
oxalonitrile;1,2,3,4,5-pentahydroxyundecan-6-one
CID 175060803
(5R,6S,7R,8R)-1-heptadecoxy-5,6,7,8,9-pentahydroxynonan-4-one
CID 141065918
(2R,3R,4S,5R)-8-deuterio-1,2,3,4,5-pentahydroxypentadecan-6-one
CID 140874545
(2R,3R,4S,5R)-14-deuterio-1,2,3,4,5-pentahydroxytetradecan-6-one
CID 141214984
(2R,3R,4S,5S)-18-deuterio-1,2,3,4,5-pentahydroxyoctadecan-6-one
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Frequently Asked Questions

What is the IUPAC name of (6R,7S,8S,9R)-6,7,8,9,10-pentahydroxydecan-5-one?
The IUPAC name of (6R,7S,8S,9R)-6,7,8,9,10-pentahydroxydecan-5-one (CID 139765419) is (6R,7S,8S,9R)-6,7,8,9,10-pentahydroxydecan-5-one.
What is the SMILES notation for (6R,7S,8S,9R)-6,7,8,9,10-pentahydroxydecan-5-one?
The canonical SMILES for (6R,7S,8S,9R)-6,7,8,9,10-pentahydroxydecan-5-one is CCCCC(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of (6R,7S,8S,9R)-6,7,8,9,10-pentahydroxydecan-5-one?
The InChIKey is UMUCGIKAVGXPKH-XFWSIPNHSA-N. The full InChI is InChI=1S/C10H20O6/c1-2-3-4-6(12)8(14)10(16)9(15)7(13)5-11/h7-11,13-16H,2-5H2,1H3/t7-,8+,9+,10-/m1/s1.
What are the key properties of (6R,7S,8S,9R)-6,7,8,9,10-pentahydroxydecan-5-one?
(6R,7S,8S,9R)-6,7,8,9,10-pentahydroxydecan-5-one has a molecular weight of 236.26 g/mol, XLogP of -1.82, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S,8S,9R)-6,7,8,9,10-pentahydroxydecan-5-one is sourced from PubChem (CID 139765419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).