(3R,4R,5S,6R)-2-butan-2-yl-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol

C15H30O5 — CID 137470121

IUPAC(3R,4R,5S,6R)-2-butan-2-yl-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol
SMILESCCC(CC)O[C@H]1[C@H](O)[C@@H](O)C(C(C)CC)O[C@@H]1CO
InChIInChI=1S/C15H30O5/c1-5-9(4)14-12(17)13(18)15(11(8-16)20-14)19-10(6-2)7-3/h9-18H,5-8H2,1-4H3/t9?,11-,12-,13-,14?,15-/m1/s1
InChIKeyDVBFWVLDSUCZGX-POWDQQHSSA-N
MW290.40 g/mol
LogP1.09
Rot. Bonds7

About (3R,4R,5S,6R)-2-butan-2-yl-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol

(3R,4R,5S,6R)-2-butan-2-yl-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol (PubChem CID 137470121) has the molecular formula C15H30O5 and a molecular weight of 290.40 g/mol. Its IUPAC name is (3R,4R,5S,6R)-2-butan-2-yl-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5S,6R)-2-butan-2-yl-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol
PubChem CID137470121
Molecular FormulaC15H30O5
Molecular Weight290.40 g/mol
Exact Mass290.21
IUPAC Name(3R,4R,5S,6R)-2-butan-2-yl-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol
SMILESCCC(CC)O[C@H]1[C@H](O)[C@@H](O)C(C(C)CC)O[C@@H]1CO
InChIInChI=1S/C15H30O5/c1-5-9(4)14-12(17)13(18)15(11(8-16)20-14)19-10(6-2)7-3/h9-18H,5-8H2,1-4H3/t9?,11-,12-,13-,14?,15-/m1/s1
InChIKeyDVBFWVLDSUCZGX-POWDQQHSSA-N
XLogP1.09
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R,4R,5S,6R)-2-butan-2-yl-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol with MolForge

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Launch Full Analysis

Related Compounds

2-(3-ethyl-2-methylpentan-3-yl)-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol
CID 134345194
2-butan-2-yl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 77486705
5-ethoxy-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol
CID 134379068
[(2R,3R)-3-[(2S)-butan-2-yl]oxiran-2-yl]methanol
CID 11094654
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol
CID 158253201
6-ethyl-2-(3-hydroxypentan-3-yl)-5-pentan-3-yloxyoxane-3,4-diol
CID 149285586
2-(hydroxymethyl)-3-pentan-3-yloxy-6-pentyloxan-4-ol
CID 123662386
(2R,3S,4S,5S)-2-(hydroxymethyl)-5-undecan-2-yloxolane-3,4-diol
CID 89443137
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
(2R,3S,4S)-2-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 138667541
2-ethyl-6-propan-2-yloxane-3,4,5-triol
CID 71288921
(2R,4R,5S)-2-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-propan-2-yloxyoxan-3-yl]oxy-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-propan-2-yloxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
CID 118580562

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R)-2-butan-2-yl-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol?
The IUPAC name of (3R,4R,5S,6R)-2-butan-2-yl-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol (CID 137470121) is (3R,4R,5S,6R)-2-butan-2-yl-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol.
What is the SMILES notation for (3R,4R,5S,6R)-2-butan-2-yl-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol?
The canonical SMILES for (3R,4R,5S,6R)-2-butan-2-yl-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol is CCC(CC)O[C@H]1[C@H](O)[C@@H](O)C(C(C)CC)O[C@@H]1CO.
What is the InChIKey of (3R,4R,5S,6R)-2-butan-2-yl-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol?
The InChIKey is DVBFWVLDSUCZGX-POWDQQHSSA-N. The full InChI is InChI=1S/C15H30O5/c1-5-9(4)14-12(17)13(18)15(11(8-16)20-14)19-10(6-2)7-3/h9-18H,5-8H2,1-4H3/t9?,11-,12-,13-,14?,15-/m1/s1.
What are the key properties of (3R,4R,5S,6R)-2-butan-2-yl-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol?
(3R,4R,5S,6R)-2-butan-2-yl-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol has a molecular weight of 290.40 g/mol, XLogP of 1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R)-2-butan-2-yl-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol is sourced from PubChem (CID 137470121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).