(3R,4R,5S)-4-(hydroxymethyl)-5-methoxyoxolan-3-ol

C6H12O4 — CID 15714977

IUPAC(3R,4R,5S)-4-(hydroxymethyl)-5-methoxyoxolan-3-ol
SMILESCO[C@H]1OC[C@H](O)[C@H]1CO
InChIInChI=1S/C6H12O4/c1-9-6-4(2-7)5(8)3-10-6/h4-8H,2-3H2,1H3/t4-,5+,6+/m1/s1
InChIKeySFGMXMRNMUYIRA-SRQIZXRXSA-N
MW148.16 g/mol
LogP-1.04
Rot. Bonds2

About (3R,4R,5S)-4-(hydroxymethyl)-5-methoxyoxolan-3-ol

(3R,4R,5S)-4-(hydroxymethyl)-5-methoxyoxolan-3-ol (PubChem CID 15714977) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (3R,4R,5S)-4-(hydroxymethyl)-5-methoxyoxolan-3-ol.

Molecular Properties

Compound Name(3R,4R,5S)-4-(hydroxymethyl)-5-methoxyoxolan-3-ol
PubChem CID15714977
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(3R,4R,5S)-4-(hydroxymethyl)-5-methoxyoxolan-3-ol
SMILESCO[C@H]1OC[C@H](O)[C@H]1CO
InChIInChI=1S/C6H12O4/c1-9-6-4(2-7)5(8)3-10-6/h4-8H,2-3H2,1H3/t4-,5+,6+/m1/s1
InChIKeySFGMXMRNMUYIRA-SRQIZXRXSA-N
XLogP-1.04
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol
CID 54169558
(3S,4R)-4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol
CID 10329588
(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
CID 24802344
(2R,3S,4S)-2-methoxyoxolane-3,4-diol
CID 130831872
(2R,3R,4S)-2-methoxyoxolane-3,4-diol
CID 14443636
(3S,6S)-3,6-bis(hydroxymethyl)-2-methoxyoxan-4-ol
CID 143771593
(2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol
CID 100984386
(3R,4R,5S,6S)-6-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol
CID 100993548
(2R,5S)-2-[(2R,5S)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70971830
(2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 18645218
2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 19699733
[(2R,3S,4S)-2,4-diethoxyoxolan-3-yl]methanol
CID 162918830

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-4-(hydroxymethyl)-5-methoxyoxolan-3-ol?
The IUPAC name of (3R,4R,5S)-4-(hydroxymethyl)-5-methoxyoxolan-3-ol (CID 15714977) is (3R,4R,5S)-4-(hydroxymethyl)-5-methoxyoxolan-3-ol.
What is the SMILES notation for (3R,4R,5S)-4-(hydroxymethyl)-5-methoxyoxolan-3-ol?
The canonical SMILES for (3R,4R,5S)-4-(hydroxymethyl)-5-methoxyoxolan-3-ol is CO[C@H]1OC[C@H](O)[C@H]1CO.
What is the InChIKey of (3R,4R,5S)-4-(hydroxymethyl)-5-methoxyoxolan-3-ol?
The InChIKey is SFGMXMRNMUYIRA-SRQIZXRXSA-N. The full InChI is InChI=1S/C6H12O4/c1-9-6-4(2-7)5(8)3-10-6/h4-8H,2-3H2,1H3/t4-,5+,6+/m1/s1.
What are the key properties of (3R,4R,5S)-4-(hydroxymethyl)-5-methoxyoxolan-3-ol?
(3R,4R,5S)-4-(hydroxymethyl)-5-methoxyoxolan-3-ol has a molecular weight of 148.16 g/mol, XLogP of -1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-4-(hydroxymethyl)-5-methoxyoxolan-3-ol is sourced from PubChem (CID 15714977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).