4,5,10,10-tetrahydroxydecane-2,3,7,8-tetrone

C10H14O8 — CID 174871783

IUPAC4,5,10,10-tetrahydroxydecane-2,3,7,8-tetrone
SMILESCC(=O)C(=O)C(O)C(O)CC(=O)C(=O)CC(O)O
InChIInChI=1S/C10H14O8/c1-4(11)9(17)10(18)7(14)2-5(12)6(13)3-8(15)16/h7-8,10,14-16,18H,2-3H2,1H3
InChIKeyIYRPOTHBGYYYLK-UHFFFAOYSA-N
MW262.21 g/mol
LogP-2.90
Rot. Bonds8

About 4,5,10,10-tetrahydroxydecane-2,3,7,8-tetrone

4,5,10,10-tetrahydroxydecane-2,3,7,8-tetrone (PubChem CID 174871783) has the molecular formula C10H14O8 and a molecular weight of 262.21 g/mol. Its IUPAC name is 4,5,10,10-tetrahydroxydecane-2,3,7,8-tetrone.

Molecular Properties

Compound Name4,5,10,10-tetrahydroxydecane-2,3,7,8-tetrone
PubChem CID174871783
Molecular FormulaC10H14O8
Molecular Weight262.21 g/mol
Exact Mass262.07
IUPAC Name4,5,10,10-tetrahydroxydecane-2,3,7,8-tetrone
SMILESCC(=O)C(=O)C(O)C(O)CC(=O)C(=O)CC(O)O
InChIInChI=1S/C10H14O8/c1-4(11)9(17)10(18)7(14)2-5(12)6(13)3-8(15)16/h7-8,10,14-16,18H,2-3H2,1H3
InChIKeyIYRPOTHBGYYYLK-UHFFFAOYSA-N
XLogP-2.90
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 5-2.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4S,5S)-4,5-dihydroxyhexane-2,3-dione
CID 57392938
(4R,5S,6S,7R)-4,5,6,7,8-pentahydroxyoctane-2,3-dione
CID 87065543
(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6,7-dioxooctanoic acid
CID 23517313
(2R,3R)-2,3-dihydroxy-4,5-dioxohexanal
CID 14159388
4,5-dihydroxy(113C)pentane-2,3-dione
CID 11506457
(E)-5,6,7-trihydroxy-3-methylhept-2-en-4-one
CID 142665515
butyl (4S,5R)-4,5-dihydroxy-2,6-dioxoheptanoate
CID 130416587
(4R,5R)-4,5-dihydroxy-2-oxohexanoic acid
CID 5459929
4,6-dihydroxyhexane-2,3,5-trione
CID 139577462
3-methyl-4,5-dioxohexanoic acid
CID 141073391
4-ethyl-5-hydroxyhexane-2,3-dione
CID 90904754
bis(2,3-dioxobutyl) 2,3-dihydroxybutanedioate
CID 175242447

Frequently Asked Questions

What is the IUPAC name of 4,5,10,10-tetrahydroxydecane-2,3,7,8-tetrone?
The IUPAC name of 4,5,10,10-tetrahydroxydecane-2,3,7,8-tetrone (CID 174871783) is 4,5,10,10-tetrahydroxydecane-2,3,7,8-tetrone.
What is the SMILES notation for 4,5,10,10-tetrahydroxydecane-2,3,7,8-tetrone?
The canonical SMILES for 4,5,10,10-tetrahydroxydecane-2,3,7,8-tetrone is CC(=O)C(=O)C(O)C(O)CC(=O)C(=O)CC(O)O.
What is the InChIKey of 4,5,10,10-tetrahydroxydecane-2,3,7,8-tetrone?
The InChIKey is IYRPOTHBGYYYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O8/c1-4(11)9(17)10(18)7(14)2-5(12)6(13)3-8(15)16/h7-8,10,14-16,18H,2-3H2,1H3.
What are the key properties of 4,5,10,10-tetrahydroxydecane-2,3,7,8-tetrone?
4,5,10,10-tetrahydroxydecane-2,3,7,8-tetrone has a molecular weight of 262.21 g/mol, XLogP of -2.90, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,10,10-tetrahydroxydecane-2,3,7,8-tetrone is sourced from PubChem (CID 174871783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).