4-(hydroxymethyl)-6-[(2,3,4-trihydroxy-5-propan-2-ylcyclohexyl)methoxy]cyclohexane-1,2,3-triol

C17H32O8 — CID 161359179

IUPAC4-(hydroxymethyl)-6-[(2,3,4-trihydroxy-5-propan-2-ylcyclohexyl)methoxy]cyclohexane-1,2,3-triol
SMILESCC(C)C1CC(COC2CC(CO)C(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C17H32O8/c1-7(2)10-3-9(13(20)16(23)14(10)21)6-25-11-4-8(5-18)12(19)17(24)15(11)22/h7-24H,3-6H2,1-2H3
InChIKeyVOYDXKPPKMIODY-UHFFFAOYSA-N
MW364.44 g/mol
LogP-2.16
Rot. Bonds5

About 4-(hydroxymethyl)-6-[(2,3,4-trihydroxy-5-propan-2-ylcyclohexyl)methoxy]cyclohexane-1,2,3-triol

4-(hydroxymethyl)-6-[(2,3,4-trihydroxy-5-propan-2-ylcyclohexyl)methoxy]cyclohexane-1,2,3-triol (PubChem CID 161359179) has the molecular formula C17H32O8 and a molecular weight of 364.44 g/mol. Its IUPAC name is 4-(hydroxymethyl)-6-[(2,3,4-trihydroxy-5-propan-2-ylcyclohexyl)methoxy]cyclohexane-1,2,3-triol.

Molecular Properties

Compound Name4-(hydroxymethyl)-6-[(2,3,4-trihydroxy-5-propan-2-ylcyclohexyl)methoxy]cyclohexane-1,2,3-triol
PubChem CID161359179
Molecular FormulaC17H32O8
Molecular Weight364.44 g/mol
Exact Mass364.21
IUPAC Name4-(hydroxymethyl)-6-[(2,3,4-trihydroxy-5-propan-2-ylcyclohexyl)methoxy]cyclohexane-1,2,3-triol
SMILESCC(C)C1CC(COC2CC(CO)C(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C17H32O8/c1-7(2)10-3-9(13(20)16(23)14(10)21)6-25-11-4-8(5-18)12(19)17(24)15(11)22/h7-24H,3-6H2,1-2H3
InChIKeyVOYDXKPPKMIODY-UHFFFAOYSA-N
XLogP-2.16
TPSA150.84 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.44
LogP ≤ 5-2.16
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Analyze 4-(hydroxymethyl)-6-[(2,3,4-trihydroxy-5-propan-2-ylcyclohexyl)methoxy]cyclohexane-1,2,3-triol with MolForge

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Related Compounds

4-(hydroxymethyl)-6-methoxycyclohexane-1,2,3-triol;methane
CID 159534501
(1R,2S,3R,4R,6R)-4-(hydroxymethyl)-6-octoxycyclohexane-1,2,3-triol
CID 10469479
cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol
CID 162463333
(1R,2S,4R)-4-[(E,2S,3R)-2-amino-3-hydroxyhex-4-enoxy]-6-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 163477548
2-methyl-4-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxybut-2-enenitrile
CID 162834255
(1S,2S,3S,5R)-3-(hydroxymethyl)-5-phenylmethoxycyclopentane-1,2-diol
CID 125479341
(1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 176819979
(1S,2S,3S,4S,5R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 11332802
(2R,3S,6S)-4-(hydroxymethyl)-6-methylcyclohexane-1,2,3-triol
CID 89082502
(1R,2S,3R,4R,6S)-4-(hydroxymethyl)-6-methylcyclohexane-1,2,3-triol
CID 159801457
ethane;hydroxylamine;molecular hydrogen;[(1S,2S)-2-propan-2-ylcyclopropyl]methanol
CID 177330552
(1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol
CID 10920662

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-6-[(2,3,4-trihydroxy-5-propan-2-ylcyclohexyl)methoxy]cyclohexane-1,2,3-triol?
The IUPAC name of 4-(hydroxymethyl)-6-[(2,3,4-trihydroxy-5-propan-2-ylcyclohexyl)methoxy]cyclohexane-1,2,3-triol (CID 161359179) is 4-(hydroxymethyl)-6-[(2,3,4-trihydroxy-5-propan-2-ylcyclohexyl)methoxy]cyclohexane-1,2,3-triol.
What is the SMILES notation for 4-(hydroxymethyl)-6-[(2,3,4-trihydroxy-5-propan-2-ylcyclohexyl)methoxy]cyclohexane-1,2,3-triol?
The canonical SMILES for 4-(hydroxymethyl)-6-[(2,3,4-trihydroxy-5-propan-2-ylcyclohexyl)methoxy]cyclohexane-1,2,3-triol is CC(C)C1CC(COC2CC(CO)C(O)C(O)C2O)C(O)C(O)C1O.
What is the InChIKey of 4-(hydroxymethyl)-6-[(2,3,4-trihydroxy-5-propan-2-ylcyclohexyl)methoxy]cyclohexane-1,2,3-triol?
The InChIKey is VOYDXKPPKMIODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O8/c1-7(2)10-3-9(13(20)16(23)14(10)21)6-25-11-4-8(5-18)12(19)17(24)15(11)22/h7-24H,3-6H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-6-[(2,3,4-trihydroxy-5-propan-2-ylcyclohexyl)methoxy]cyclohexane-1,2,3-triol?
4-(hydroxymethyl)-6-[(2,3,4-trihydroxy-5-propan-2-ylcyclohexyl)methoxy]cyclohexane-1,2,3-triol has a molecular weight of 364.44 g/mol, XLogP of -2.16, 5 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-6-[(2,3,4-trihydroxy-5-propan-2-ylcyclohexyl)methoxy]cyclohexane-1,2,3-triol is sourced from PubChem (CID 161359179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).