(2R,3S,4R,5R)-2-(2-methylpropoxymethyl)-6-propan-2-yloxane-3,4,5-triol

C13H26O5 — CID 118014534

IUPAC(2R,3S,4R,5R)-2-(2-methylpropoxymethyl)-6-propan-2-yloxane-3,4,5-triol
SMILESCC(C)COC[C@H]1OC(C(C)C)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H26O5/c1-7(2)5-17-6-9-10(14)11(15)12(16)13(18-9)8(3)4/h7-16H,5-6H2,1-4H3/t9-,10-,11+,12-,13?/m1/s1
InChIKeyYDXJTIVJXUVSAN-HENWMNBSSA-N
MW262.35 g/mol
LogP0.17
Rot. Bonds5

About (2R,3S,4R,5R)-2-(2-methylpropoxymethyl)-6-propan-2-yloxane-3,4,5-triol

(2R,3S,4R,5R)-2-(2-methylpropoxymethyl)-6-propan-2-yloxane-3,4,5-triol (PubChem CID 118014534) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-(2-methylpropoxymethyl)-6-propan-2-yloxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-(2-methylpropoxymethyl)-6-propan-2-yloxane-3,4,5-triol
PubChem CID118014534
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Name(2R,3S,4R,5R)-2-(2-methylpropoxymethyl)-6-propan-2-yloxane-3,4,5-triol
SMILESCC(C)COC[C@H]1OC(C(C)C)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H26O5/c1-7(2)5-17-6-9-10(14)11(15)12(16)13(18-9)8(3)4/h7-16H,5-6H2,1-4H3/t9-,10-,11+,12-,13?/m1/s1
InChIKeyYDXJTIVJXUVSAN-HENWMNBSSA-N
XLogP0.17
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4R,5R)-2-(2-methylpropoxymethyl)-6-propan-2-yloxane-3,4,5-triol with MolForge

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Related Compounds

2-[2-(1-methylcyclohexyl)propoxymethyl]-6-propan-2-yloxane-3,4,5-triol
CID 126702960
2-ethyl-6-propan-2-yloxane-3,4,5-triol
CID 71288921
(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
N-[[3,4-dihydroxy-5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]-3-methylbutanamide
CID 164821694
2-[[butyl(diethoxy)silyl]oxymethyl]-6-propan-2-yloxane-3,4,5-triol
CID 90351093
5-ethoxy-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol
CID 134379068
(3R,6S)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,4,5-tetrol;(3S,4S,6R)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol;methane
CID 160866518
(3S,6R)-3-propan-2-yl-2,7-dioxabicyclo[4.1.0]heptane-4,5-diol
CID 89234801
(3S,4S,6S)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol
CID 159586267
(3R,6R)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol
CID 58429897
3-amino-2,5-di(propan-2-yl)-6-(propoxymethyl)oxan-4-ol
CID 139493099
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3S,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 155466297

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-(2-methylpropoxymethyl)-6-propan-2-yloxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5R)-2-(2-methylpropoxymethyl)-6-propan-2-yloxane-3,4,5-triol (CID 118014534) is (2R,3S,4R,5R)-2-(2-methylpropoxymethyl)-6-propan-2-yloxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5R)-2-(2-methylpropoxymethyl)-6-propan-2-yloxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5R)-2-(2-methylpropoxymethyl)-6-propan-2-yloxane-3,4,5-triol is CC(C)COC[C@H]1OC(C(C)C)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-2-(2-methylpropoxymethyl)-6-propan-2-yloxane-3,4,5-triol?
The InChIKey is YDXJTIVJXUVSAN-HENWMNBSSA-N. The full InChI is InChI=1S/C13H26O5/c1-7(2)5-17-6-9-10(14)11(15)12(16)13(18-9)8(3)4/h7-16H,5-6H2,1-4H3/t9-,10-,11+,12-,13?/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-(2-methylpropoxymethyl)-6-propan-2-yloxane-3,4,5-triol?
(2R,3S,4R,5R)-2-(2-methylpropoxymethyl)-6-propan-2-yloxane-3,4,5-triol has a molecular weight of 262.35 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-(2-methylpropoxymethyl)-6-propan-2-yloxane-3,4,5-triol is sourced from PubChem (CID 118014534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).