(3R,4R,5S,6S)-6-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol

C8H16O5 — CID 100993548

IUPAC(3R,4R,5S,6S)-6-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol
SMILESCO[C@@H]1[C@H](OC)[C@H](O)CO[C@H]1CO
InChIInChI=1S/C8H16O5/c1-11-7-5(10)4-13-6(3-9)8(7)12-2/h5-10H,3-4H2,1-2H3/t5-,6+,7-,8+/m1/s1
InChIKeyNPABHCXWYRUDOQ-CWKFCGSDSA-N
MW192.21 g/mol
LogP-1.23
Rot. Bonds3

About (3R,4R,5S,6S)-6-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol

(3R,4R,5S,6S)-6-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol (PubChem CID 100993548) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is (3R,4R,5S,6S)-6-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol.

Molecular Properties

Compound Name(3R,4R,5S,6S)-6-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol
PubChem CID100993548
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name(3R,4R,5S,6S)-6-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol
SMILESCO[C@@H]1[C@H](OC)[C@H](O)CO[C@H]1CO
InChIInChI=1S/C8H16O5/c1-11-7-5(10)4-13-6(3-9)8(7)12-2/h5-10H,3-4H2,1-2H3/t5-,6+,7-,8+/m1/s1
InChIKeyNPABHCXWYRUDOQ-CWKFCGSDSA-N
XLogP-1.23
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 19699733
(2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 18645218
[(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol
CID 131019515
(3S,4S,5R)-5-(hydroxymethyl)-4-propoxyoxolan-3-ol
CID 135036867
[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 21336534
2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol
CID 19699685
(2R,3S,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol
CID 58017669
2-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 177339487
[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]methanol
CID 102375568
(2R,3R,4R,5S)-4-methoxy-2-(methoxymethyl)oxane-3,5-diol
CID 54140471
ethane;2-(hydroxymethyl)oxolane-3,4-diol
CID 168985261
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6S)-6-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol?
The IUPAC name of (3R,4R,5S,6S)-6-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol (CID 100993548) is (3R,4R,5S,6S)-6-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol.
What is the SMILES notation for (3R,4R,5S,6S)-6-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol?
The canonical SMILES for (3R,4R,5S,6S)-6-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol is CO[C@@H]1[C@H](OC)[C@H](O)CO[C@H]1CO.
What is the InChIKey of (3R,4R,5S,6S)-6-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol?
The InChIKey is NPABHCXWYRUDOQ-CWKFCGSDSA-N. The full InChI is InChI=1S/C8H16O5/c1-11-7-5(10)4-13-6(3-9)8(7)12-2/h5-10H,3-4H2,1-2H3/t5-,6+,7-,8+/m1/s1.
What are the key properties of (3R,4R,5S,6S)-6-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol?
(3R,4R,5S,6S)-6-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol has a molecular weight of 192.21 g/mol, XLogP of -1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6S)-6-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol is sourced from PubChem (CID 100993548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).