(2S,4S,5S)-5-methoxyoxane-2,4-diol

C6H12O4 — CID 10057644

IUPAC(2S,4S,5S)-5-methoxyoxane-2,4-diol
SMILESCO[C@H]1CO[C@H](O)C[C@@H]1O
InChIInChI=1S/C6H12O4/c1-9-5-3-10-6(8)2-4(5)7/h4-8H,2-3H2,1H3/t4-,5-,6-/m0/s1
InChIKeyTVXMRCDQHMFZRN-ZLUOBGJFSA-N
MW148.16 g/mol
LogP-0.90
Rot. Bonds1

About (2S,4S,5S)-5-methoxyoxane-2,4-diol

(2S,4S,5S)-5-methoxyoxane-2,4-diol (PubChem CID 10057644) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (2S,4S,5S)-5-methoxyoxane-2,4-diol.

Molecular Properties

Compound Name(2S,4S,5S)-5-methoxyoxane-2,4-diol
PubChem CID10057644
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(2S,4S,5S)-5-methoxyoxane-2,4-diol
SMILESCO[C@H]1CO[C@H](O)C[C@@H]1O
InChIInChI=1S/C6H12O4/c1-9-5-3-10-6(8)2-4(5)7/h4-8H,2-3H2,1H3/t4-,5-,6-/m0/s1
InChIKeyTVXMRCDQHMFZRN-ZLUOBGJFSA-N
XLogP-0.90
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxyoxane-2,5-diol
CID 77322650
(2S,4S,5S)-oxane-2,4,5-triol
CID 11859680
(3S,6S,6aR)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 163517831
(3R,4R,6R)-4-methoxy-6-methyloxan-3-ol
CID 130756930
(3R,4R,6R)-4,6-dimethoxyoxan-3-ol
CID 131103746
5-methoxyoxane-2,3,4-triol
CID 560177
CID 89141546
CID 89141546
(3S,3aR,6S,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3S,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 159029439
(3R,3aR,6R,6aS)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 7168228
(3S,3aS,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 13002871
(5R,6aR)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol
CID 123745756
(3R,3aS,5R,6aR)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol
CID 53465925

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-5-methoxyoxane-2,4-diol?
The IUPAC name of (2S,4S,5S)-5-methoxyoxane-2,4-diol (CID 10057644) is (2S,4S,5S)-5-methoxyoxane-2,4-diol.
What is the SMILES notation for (2S,4S,5S)-5-methoxyoxane-2,4-diol?
The canonical SMILES for (2S,4S,5S)-5-methoxyoxane-2,4-diol is CO[C@H]1CO[C@H](O)C[C@@H]1O.
What is the InChIKey of (2S,4S,5S)-5-methoxyoxane-2,4-diol?
The InChIKey is TVXMRCDQHMFZRN-ZLUOBGJFSA-N. The full InChI is InChI=1S/C6H12O4/c1-9-5-3-10-6(8)2-4(5)7/h4-8H,2-3H2,1H3/t4-,5-,6-/m0/s1.
What are the key properties of (2S,4S,5S)-5-methoxyoxane-2,4-diol?
(2S,4S,5S)-5-methoxyoxane-2,4-diol has a molecular weight of 148.16 g/mol, XLogP of -0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-5-methoxyoxane-2,4-diol is sourced from PubChem (CID 10057644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).