2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)-6-(3-methylpentan-3-yloxy)-5-nitrosooxan-4-ol

C17H33NO6 — CID 137429200

IUPAC2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)-6-(3-methylpentan-3-yloxy)-5-nitrosooxan-4-ol
SMILESCCC(C)(C)OC1C(CO)OC(OC(C)(CC)CC)C(N=O)C1O
InChIInChI=1S/C17H33NO6/c1-7-16(4,5)23-14-11(10-19)22-15(12(18-21)13(14)20)24-17(6,8-2)9-3/h11-15,19-20H,7-10H2,1-6H3
InChIKeyRFCUHRFBTKFHMV-UHFFFAOYSA-N
MW347.45 g/mol
LogP2.37
Rot. Bonds9

About 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)-6-(3-methylpentan-3-yloxy)-5-nitrosooxan-4-ol

2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)-6-(3-methylpentan-3-yloxy)-5-nitrosooxan-4-ol (PubChem CID 137429200) has the molecular formula C17H33NO6 and a molecular weight of 347.45 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)-6-(3-methylpentan-3-yloxy)-5-nitrosooxan-4-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)-6-(3-methylpentan-3-yloxy)-5-nitrosooxan-4-ol
PubChem CID137429200
Molecular FormulaC17H33NO6
Molecular Weight347.45 g/mol
Exact Mass347.23
IUPAC Name2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)-6-(3-methylpentan-3-yloxy)-5-nitrosooxan-4-ol
SMILESCCC(C)(C)OC1C(CO)OC(OC(C)(CC)CC)C(N=O)C1O
InChIInChI=1S/C17H33NO6/c1-7-16(4,5)23-14-11(10-19)22-15(12(18-21)13(14)20)24-17(6,8-2)9-3/h11-15,19-20H,7-10H2,1-6H3
InChIKeyRFCUHRFBTKFHMV-UHFFFAOYSA-N
XLogP2.37
TPSA97.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(2-methylbutan-2-yloxy)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
CID 130316725
2-[2,3-dihydroxy-6-(hydroxymethyl)-4-(3-methylpentan-3-yloxy)cyclohexyl]oxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxane-3,4-diol
CID 130369496
5-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-2-yl]oxy-6-(hydroxymethyl)-2-pentan-3-yloxane-3,4-diol
CID 71090534
N-[4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide
CID 174250597
6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol
CID 166832148
6-(hydroxymethyl)-5-[6-(hydroxymethyl)-3,4,5-trinitrosooxan-2-yl]oxyoxane-2,3,4-triol
CID 122436524
N-[4-hydroxy-6-(hydroxymethyl)-5-(2-methylbutan-2-yloxy)-2-(2-methylpentan-2-yl)oxan-3-yl]acetamide
CID 122467400
3-(hydroxymethyl)-4-(2-methylbutan-2-yloxy)-8-prop-1-en-2-yl-2-oxa-7-azabicyclo[4.2.0]octan-5-ol
CID 123173436
2-(3,7-dimethyloctan-3-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 176618721
[4-hydroxy-6-(hydroxymethyl)-2,5-bis[(2-methylpropan-2-yl)oxy]oxan-3-yl]azanium
CID 153303924
(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-nitrosooxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 141011210
N-[2-[5-acetamido-2-(hydroxymethyl)-6-(3-methylpentan-3-yl)-4-oxooxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide
CID 123738140

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)-6-(3-methylpentan-3-yloxy)-5-nitrosooxan-4-ol?
The IUPAC name of 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)-6-(3-methylpentan-3-yloxy)-5-nitrosooxan-4-ol (CID 137429200) is 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)-6-(3-methylpentan-3-yloxy)-5-nitrosooxan-4-ol.
What is the SMILES notation for 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)-6-(3-methylpentan-3-yloxy)-5-nitrosooxan-4-ol?
The canonical SMILES for 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)-6-(3-methylpentan-3-yloxy)-5-nitrosooxan-4-ol is CCC(C)(C)OC1C(CO)OC(OC(C)(CC)CC)C(N=O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)-6-(3-methylpentan-3-yloxy)-5-nitrosooxan-4-ol?
The InChIKey is RFCUHRFBTKFHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO6/c1-7-16(4,5)23-14-11(10-19)22-15(12(18-21)13(14)20)24-17(6,8-2)9-3/h11-15,19-20H,7-10H2,1-6H3.
What are the key properties of 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)-6-(3-methylpentan-3-yloxy)-5-nitrosooxan-4-ol?
2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)-6-(3-methylpentan-3-yloxy)-5-nitrosooxan-4-ol has a molecular weight of 347.45 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)-6-(3-methylpentan-3-yloxy)-5-nitrosooxan-4-ol is sourced from PubChem (CID 137429200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).