(2R,4S)-2-[(1R)-2-hydroxy-1-methoxyethyl]-5-methyloxolane-3,4-diol

C8H16O5 — CID 162453131

IUPAC(2R,4S)-2-[(1R)-2-hydroxy-1-methoxyethyl]-5-methyloxolane-3,4-diol
SMILESCO[C@H](CO)[C@@H]1OC(C)[C@@H](O)C1O
InChIInChI=1S/C8H16O5/c1-4-6(10)7(11)8(13-4)5(3-9)12-2/h4-11H,3H2,1-2H3/t4?,5-,6-,7?,8+/m1/s1
InChIKeyUGYFVUFNBKFEQC-LYKGQIASSA-N
MW192.21 g/mol
LogP-1.50
Rot. Bonds3

About (2R,4S)-2-[(1R)-2-hydroxy-1-methoxyethyl]-5-methyloxolane-3,4-diol

(2R,4S)-2-[(1R)-2-hydroxy-1-methoxyethyl]-5-methyloxolane-3,4-diol (PubChem CID 162453131) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is (2R,4S)-2-[(1R)-2-hydroxy-1-methoxyethyl]-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,4S)-2-[(1R)-2-hydroxy-1-methoxyethyl]-5-methyloxolane-3,4-diol
PubChem CID162453131
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name(2R,4S)-2-[(1R)-2-hydroxy-1-methoxyethyl]-5-methyloxolane-3,4-diol
SMILESCO[C@H](CO)[C@@H]1OC(C)[C@@H](O)C1O
InChIInChI=1S/C8H16O5/c1-4-6(10)7(11)8(13-4)5(3-9)12-2/h4-11H,3H2,1-2H3/t4?,5-,6-,7?,8+/m1/s1
InChIKeyUGYFVUFNBKFEQC-LYKGQIASSA-N
XLogP-1.50
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4S,5R)-5-[(1R)-2-hydroxy-1-methoxyethyl]-3-methoxyoxolane-2,4-diol
CID 69029255
(2R,3R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol
CID 161397245
(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol
CID 118332800
(2S,3S,4S)-2-(dichloromethyl)-5-methyloxolane-3,4-diol
CID 57102667
5-methoxy-2-methyl-6-propan-2-yloxane-3,4-diol
CID 70847183
methyl 2-amino-3-[(2R,3S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]-3-hydroxypropanoate
CID 70795430
4,5-dimethoxy-2-methyl-6-propan-2-yloxan-3-ol
CID 58590815
(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol
CID 90181496
(2R,3S,5R)-2-(2,3-dihydroxypropoxy)-5-methyloxolane-3,4-diol
CID 121291371
(2R,3R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 149339632
(4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 122579164
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-[(1R)-2-hydroxy-1-methoxyethyl]-5-methyloxolane-3,4-diol?
The IUPAC name of (2R,4S)-2-[(1R)-2-hydroxy-1-methoxyethyl]-5-methyloxolane-3,4-diol (CID 162453131) is (2R,4S)-2-[(1R)-2-hydroxy-1-methoxyethyl]-5-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,4S)-2-[(1R)-2-hydroxy-1-methoxyethyl]-5-methyloxolane-3,4-diol?
The canonical SMILES for (2R,4S)-2-[(1R)-2-hydroxy-1-methoxyethyl]-5-methyloxolane-3,4-diol is CO[C@H](CO)[C@@H]1OC(C)[C@@H](O)C1O.
What is the InChIKey of (2R,4S)-2-[(1R)-2-hydroxy-1-methoxyethyl]-5-methyloxolane-3,4-diol?
The InChIKey is UGYFVUFNBKFEQC-LYKGQIASSA-N. The full InChI is InChI=1S/C8H16O5/c1-4-6(10)7(11)8(13-4)5(3-9)12-2/h4-11H,3H2,1-2H3/t4?,5-,6-,7?,8+/m1/s1.
What are the key properties of (2R,4S)-2-[(1R)-2-hydroxy-1-methoxyethyl]-5-methyloxolane-3,4-diol?
(2R,4S)-2-[(1R)-2-hydroxy-1-methoxyethyl]-5-methyloxolane-3,4-diol has a molecular weight of 192.21 g/mol, XLogP of -1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-[(1R)-2-hydroxy-1-methoxyethyl]-5-methyloxolane-3,4-diol is sourced from PubChem (CID 162453131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).