(3R,5S)-2-[2-[[(2S,4S,6R)-4-hydroxy-6-(2-methoxypropan-2-yl)oxan-2-yl]methoxy]propan-2-yl]oxane-3,5-diol

C18H34O7 — CID 139298094

IUPAC(3R,5S)-2-[2-[[(2S,4S,6R)-4-hydroxy-6-(2-methoxypropan-2-yl)oxan-2-yl]methoxy]propan-2-yl]oxane-3,5-diol
SMILESCOC(C)(C)[C@H]1C[C@@H](O)C[C@@H](COC(C)(C)C2OC[C@@H](O)C[C@H]2O)O1
InChIInChI=1S/C18H34O7/c1-17(2,22-5)15-8-11(19)6-13(25-15)10-24-18(3,4)16-14(21)7-12(20)9-23-16/h11-16,19-21H,6-10H2,1-5H3/t11-,12-,13-,14+,15+,16?/m0/s1
InChIKeyUKYOIETWWFUKSK-GKUIOWCZSA-N
MW362.46 g/mol
LogP0.63
Rot. Bonds6

About (3R,5S)-2-[2-[[(2S,4S,6R)-4-hydroxy-6-(2-methoxypropan-2-yl)oxan-2-yl]methoxy]propan-2-yl]oxane-3,5-diol

(3R,5S)-2-[2-[[(2S,4S,6R)-4-hydroxy-6-(2-methoxypropan-2-yl)oxan-2-yl]methoxy]propan-2-yl]oxane-3,5-diol (PubChem CID 139298094) has the molecular formula C18H34O7 and a molecular weight of 362.46 g/mol. Its IUPAC name is (3R,5S)-2-[2-[[(2S,4S,6R)-4-hydroxy-6-(2-methoxypropan-2-yl)oxan-2-yl]methoxy]propan-2-yl]oxane-3,5-diol.

Molecular Properties

Compound Name(3R,5S)-2-[2-[[(2S,4S,6R)-4-hydroxy-6-(2-methoxypropan-2-yl)oxan-2-yl]methoxy]propan-2-yl]oxane-3,5-diol
PubChem CID139298094
Molecular FormulaC18H34O7
Molecular Weight362.46 g/mol
Exact Mass362.23
IUPAC Name(3R,5S)-2-[2-[[(2S,4S,6R)-4-hydroxy-6-(2-methoxypropan-2-yl)oxan-2-yl]methoxy]propan-2-yl]oxane-3,5-diol
SMILESCOC(C)(C)[C@H]1C[C@@H](O)C[C@@H](COC(C)(C)C2OC[C@@H](O)C[C@H]2O)O1
InChIInChI=1S/C18H34O7/c1-17(2,22-5)15-8-11(19)6-13(25-15)10-24-18(3,4)16-14(21)7-12(20)9-23-16/h11-16,19-21H,6-10H2,1-5H3/t11-,12-,13-,14+,15+,16?/m0/s1
InChIKeyUKYOIETWWFUKSK-GKUIOWCZSA-N
XLogP0.63
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3R,5S)-2-[2-[[(2S,4S,6R)-4-hydroxy-6-(2-methoxypropan-2-yl)oxan-2-yl]methoxy]propan-2-yl]oxane-3,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-bis[2-(oxiran-2-ylmethoxy)propan-2-yl]oxetane;ethane;ethene
CID 155574162
(3R,5R)-5-tert-butyloxolan-3-ol
CID 129415600
(3S,5R)-5-tert-butyloxolan-3-ol
CID 129415604
(3R,5S)-5-tert-butyloxolan-3-ol
CID 129415677
(3S,5R)-5-(iodomethyl)oxolan-3-ol
CID 67649805
(3R,5S)-5-(iodomethyl)oxolan-3-ol
CID 10998747
(1S,2R,3S,5R)-3-(2-methoxypropan-2-yl)-5-methylcyclopentane-1,2-diol
CID 90368969
(4S,6S)-2-(2-dodecoxy-1-hydroxybutan-2-yl)-6-(hydroxymethyl)oxan-4-ol
CID 137470124
[(2S,4R)-4-hydroxyoxolan-2-yl]methyl dimethyl phosphate
CID 134464300
(3R,5S)-5-(hydroxymethyl)oxolan-3-ol
CID 5289103
2-[3-[(2R)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol
CID 129199188
2-(hydroxymethyl)-6-methoxyoxan-4-ol
CID 14831299

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-2-[2-[[(2S,4S,6R)-4-hydroxy-6-(2-methoxypropan-2-yl)oxan-2-yl]methoxy]propan-2-yl]oxane-3,5-diol?
The IUPAC name of (3R,5S)-2-[2-[[(2S,4S,6R)-4-hydroxy-6-(2-methoxypropan-2-yl)oxan-2-yl]methoxy]propan-2-yl]oxane-3,5-diol (CID 139298094) is (3R,5S)-2-[2-[[(2S,4S,6R)-4-hydroxy-6-(2-methoxypropan-2-yl)oxan-2-yl]methoxy]propan-2-yl]oxane-3,5-diol.
What is the SMILES notation for (3R,5S)-2-[2-[[(2S,4S,6R)-4-hydroxy-6-(2-methoxypropan-2-yl)oxan-2-yl]methoxy]propan-2-yl]oxane-3,5-diol?
The canonical SMILES for (3R,5S)-2-[2-[[(2S,4S,6R)-4-hydroxy-6-(2-methoxypropan-2-yl)oxan-2-yl]methoxy]propan-2-yl]oxane-3,5-diol is COC(C)(C)[C@H]1C[C@@H](O)C[C@@H](COC(C)(C)C2OC[C@@H](O)C[C@H]2O)O1.
What is the InChIKey of (3R,5S)-2-[2-[[(2S,4S,6R)-4-hydroxy-6-(2-methoxypropan-2-yl)oxan-2-yl]methoxy]propan-2-yl]oxane-3,5-diol?
The InChIKey is UKYOIETWWFUKSK-GKUIOWCZSA-N. The full InChI is InChI=1S/C18H34O7/c1-17(2,22-5)15-8-11(19)6-13(25-15)10-24-18(3,4)16-14(21)7-12(20)9-23-16/h11-16,19-21H,6-10H2,1-5H3/t11-,12-,13-,14+,15+,16?/m0/s1.
What are the key properties of (3R,5S)-2-[2-[[(2S,4S,6R)-4-hydroxy-6-(2-methoxypropan-2-yl)oxan-2-yl]methoxy]propan-2-yl]oxane-3,5-diol?
(3R,5S)-2-[2-[[(2S,4S,6R)-4-hydroxy-6-(2-methoxypropan-2-yl)oxan-2-yl]methoxy]propan-2-yl]oxane-3,5-diol has a molecular weight of 362.46 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-2-[2-[[(2S,4S,6R)-4-hydroxy-6-(2-methoxypropan-2-yl)oxan-2-yl]methoxy]propan-2-yl]oxane-3,5-diol is sourced from PubChem (CID 139298094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).