2-tert-butyl-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxane-3,4,5-triol

C20H38O10 — CID 58624972

IUPAC2-tert-butyl-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxane-3,4,5-triol
SMILESCC(C)(C)OCC1OC(OCC2OC(C(C)(C)C)C(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C20H38O10/c1-19(2,3)17-15(25)13(23)11(21)9(29-17)7-27-18-16(26)14(24)12(22)10(30-18)8-28-20(4,5)6/h9-18,21-26H,7-8H2,1-6H3
InChIKeyBGWSKCTVKMILSK-UHFFFAOYSA-N
MW438.51 g/mol
LogP-1.48
Rot. Bonds5

About 2-tert-butyl-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxane-3,4,5-triol

2-tert-butyl-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxane-3,4,5-triol (PubChem CID 58624972) has the molecular formula C20H38O10 and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-tert-butyl-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name2-tert-butyl-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxane-3,4,5-triol
PubChem CID58624972
Molecular FormulaC20H38O10
Molecular Weight438.51 g/mol
Exact Mass438.25
IUPAC Name2-tert-butyl-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxane-3,4,5-triol
SMILESCC(C)(C)OCC1OC(OCC2OC(C(C)(C)C)C(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C20H38O10/c1-19(2,3)17-15(25)13(23)11(21)9(29-17)7-27-18-16(26)14(24)12(22)10(30-18)8-28-20(4,5)6/h9-18,21-26H,7-8H2,1-6H3
InChIKeyBGWSKCTVKMILSK-UHFFFAOYSA-N
XLogP-1.48
TPSA158.30 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.51
LogP ≤ 5-1.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 2-tert-butyl-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxane-3,4,5-triol with MolForge

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Launch Full Analysis

Related Compounds

2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-yloxyoxane-3,4,5-triol
CID 134475233
6-[(2-methylpropan-2-yl)oxymethyl]oxane-2,3,4,5-tetrol
CID 90907126
tert-butyl-[5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxypentoxy]phosphinic acid;tert-butyl-[5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxypentoxy]phosphinic acid;tert-butyl-[4-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[5-[(2-methylpropan-2-yl)oxy]pentoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]butoxy]phosphinic acid
CID 167621500
(2R)-2-methyl-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]butanenitrile
CID 162989376
(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 162937440
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 10926361
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 101094442
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 101155404
(2R,3S,4R,5S,6R,7S)-2-(hydroxymethyl)-7-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxepane-3,4,5,6-tetrol
CID 25194280
5-amino-6-[[5-amino-6-[[5-amino-3,4-dihydroxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 155635351
(2R,3R,4R,5S,6R)-6-[[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 162942184
(3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 25193858

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxane-3,4,5-triol?
The IUPAC name of 2-tert-butyl-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxane-3,4,5-triol (CID 58624972) is 2-tert-butyl-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxane-3,4,5-triol.
What is the SMILES notation for 2-tert-butyl-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxane-3,4,5-triol?
The canonical SMILES for 2-tert-butyl-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxane-3,4,5-triol is CC(C)(C)OCC1OC(OCC2OC(C(C)(C)C)C(O)C(O)C2O)C(O)C(O)C1O.
What is the InChIKey of 2-tert-butyl-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxane-3,4,5-triol?
The InChIKey is BGWSKCTVKMILSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O10/c1-19(2,3)17-15(25)13(23)11(21)9(29-17)7-27-18-16(26)14(24)12(22)10(30-18)8-28-20(4,5)6/h9-18,21-26H,7-8H2,1-6H3.
What are the key properties of 2-tert-butyl-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxane-3,4,5-triol?
2-tert-butyl-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxane-3,4,5-triol has a molecular weight of 438.51 g/mol, XLogP of -1.48, 5 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxane-3,4,5-triol is sourced from PubChem (CID 58624972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).