(1S,4S)-1,4-bis[(2S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolan-2-yl]butane-1,4-diol

C16H30O8 — CID 25228527

IUPAC(1S,4S)-1,4-bis[(2S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolan-2-yl]butane-1,4-diol
SMILESOC[C@H](O)[C@H]1CC[C@@H]([C@@H](O)CC[C@H](O)[C@@H]2CC[C@H]([C@@H](O)CO)O2)O1
InChIInChI=1S/C16H30O8/c17-7-11(21)15-5-3-13(23-15)9(19)1-2-10(20)14-4-6-16(24-14)12(22)8-18/h9-22H,1-8H2/t9-,10-,11-,12-,13-,14-,15+,16+/m0/s1
InChIKeyCQHMTROXRJVUKM-RDAPPBCGSA-N
MW350.41 g/mol
LogP-1.71
Rot. Bonds9

About (1S,4S)-1,4-bis[(2S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolan-2-yl]butane-1,4-diol

(1S,4S)-1,4-bis[(2S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolan-2-yl]butane-1,4-diol (PubChem CID 25228527) has the molecular formula C16H30O8 and a molecular weight of 350.41 g/mol. Its IUPAC name is (1S,4S)-1,4-bis[(2S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolan-2-yl]butane-1,4-diol.

Molecular Properties

Compound Name(1S,4S)-1,4-bis[(2S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolan-2-yl]butane-1,4-diol
PubChem CID25228527
Molecular FormulaC16H30O8
Molecular Weight350.41 g/mol
Exact Mass350.19
IUPAC Name(1S,4S)-1,4-bis[(2S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolan-2-yl]butane-1,4-diol
SMILESOC[C@H](O)[C@H]1CC[C@@H]([C@@H](O)CC[C@H](O)[C@@H]2CC[C@H]([C@@H](O)CO)O2)O1
InChIInChI=1S/C16H30O8/c17-7-11(21)15-5-3-13(23-15)9(19)1-2-10(20)14-4-6-16(24-14)12(22)8-18/h9-22H,1-8H2/t9-,10-,11-,12-,13-,14-,15+,16+/m0/s1
InChIKeyCQHMTROXRJVUKM-RDAPPBCGSA-N
XLogP-1.71
TPSA139.84 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.41
LogP ≤ 5-1.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze (1S,4S)-1,4-bis[(2S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolan-2-yl]butane-1,4-diol with MolForge

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Related Compounds

(1R)-1-[(2S,5R)-5-[(1S)-1-hydroxypentyl]oxolan-2-yl]pentan-1-ol
CID 101238341
(1S,4S)-1-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]-4-[(2S,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butane-1,4-diol
CID 11988735
1-(5-methyloxolan-2-yl)butan-1-ol
CID 82837669
(1R)-1-[(5R)-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol
CID 129172685
1-(5-methyloxolan-2-yl)pentan-1-ol
CID 82837329
(1S)-1-[(2S,5R)-5-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol
CID 11533144
(1R)-1-[(2S,6R)-6-methoxyoxan-2-yl]ethane-1,2-diol
CID 13108348
1-(5-ethyloxolan-2-yl)tridecan-1-ol
CID 20670075
(1R)-1-[(2R,5R)-5-(iodomethyl)oxolan-2-yl]pentan-1-ol
CID 10851587
(3R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3-diol
CID 101290230
1-(oxolan-2-yl)propane-1,3-diol
CID 119055061
(1S)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethane-1,2-diol
CID 122215869

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-1,4-bis[(2S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolan-2-yl]butane-1,4-diol?
The IUPAC name of (1S,4S)-1,4-bis[(2S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolan-2-yl]butane-1,4-diol (CID 25228527) is (1S,4S)-1,4-bis[(2S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolan-2-yl]butane-1,4-diol.
What is the SMILES notation for (1S,4S)-1,4-bis[(2S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolan-2-yl]butane-1,4-diol?
The canonical SMILES for (1S,4S)-1,4-bis[(2S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolan-2-yl]butane-1,4-diol is OC[C@H](O)[C@H]1CC[C@@H]([C@@H](O)CC[C@H](O)[C@@H]2CC[C@H]([C@@H](O)CO)O2)O1.
What is the InChIKey of (1S,4S)-1,4-bis[(2S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolan-2-yl]butane-1,4-diol?
The InChIKey is CQHMTROXRJVUKM-RDAPPBCGSA-N. The full InChI is InChI=1S/C16H30O8/c17-7-11(21)15-5-3-13(23-15)9(19)1-2-10(20)14-4-6-16(24-14)12(22)8-18/h9-22H,1-8H2/t9-,10-,11-,12-,13-,14-,15+,16+/m0/s1.
What are the key properties of (1S,4S)-1,4-bis[(2S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolan-2-yl]butane-1,4-diol?
(1S,4S)-1,4-bis[(2S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolan-2-yl]butane-1,4-diol has a molecular weight of 350.41 g/mol, XLogP of -1.71, 9 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-1,4-bis[(2S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolan-2-yl]butane-1,4-diol is sourced from PubChem (CID 25228527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).