(3S,6S)-3,6-bis(hydroxymethyl)-2-methoxyoxan-4-ol

C8H16O5 — CID 143771593

IUPAC(3S,6S)-3,6-bis(hydroxymethyl)-2-methoxyoxan-4-ol
SMILESCOC1O[C@H](CO)CC(O)[C@@H]1CO
InChIInChI=1S/C8H16O5/c1-12-8-6(4-10)7(11)2-5(3-9)13-8/h5-11H,2-4H2,1H3/t5-,6-,7?,8?/m0/s1
InChIKeyMCRUVCDFIHGPBM-LHZZQDSXSA-N
MW192.21 g/mol
LogP-1.29
Rot. Bonds3

About (3S,6S)-3,6-bis(hydroxymethyl)-2-methoxyoxan-4-ol

(3S,6S)-3,6-bis(hydroxymethyl)-2-methoxyoxan-4-ol (PubChem CID 143771593) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is (3S,6S)-3,6-bis(hydroxymethyl)-2-methoxyoxan-4-ol.

Molecular Properties

Compound Name(3S,6S)-3,6-bis(hydroxymethyl)-2-methoxyoxan-4-ol
PubChem CID143771593
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name(3S,6S)-3,6-bis(hydroxymethyl)-2-methoxyoxan-4-ol
SMILESCOC1O[C@H](CO)CC(O)[C@@H]1CO
InChIInChI=1S/C8H16O5/c1-12-8-6(4-10)7(11)2-5(3-9)13-8/h5-11H,2-4H2,1H3/t5-,6-,7?,8?/m0/s1
InChIKeyMCRUVCDFIHGPBM-LHZZQDSXSA-N
XLogP-1.29
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 ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S,4S,6R)-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 93090180
N-[4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 118494513
(3R,4R,5S)-4-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 15714977
(2S,3S,4S,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2R,3S,4R,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 129120159
(2S,3S,4S,5S,6R)-2-[(2R,3S,4S,6S)-4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 42631468
6-(aminomethyl)-2-methoxyoxane-3,4-diol;ethane
CID 142004285
ethane;6-(hydroxymethyl)-3-methoxy-2-methyloxan-4-ol;methanethioic S-acid
CID 144720636
6-(hydroxymethyl)-2-pentoxyoxane-3,4-diol
CID 91600064
6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol
CID 146226308
2-(hydroxymethyl)-6-methoxyoxan-4-ol
CID 14831299
(2S,3R,4R,5S,6S)-5-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 102203850
(4S)-7-(hydroxymethyl)oxepane-2,4,5-triol
CID 163289126

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3,6-bis(hydroxymethyl)-2-methoxyoxan-4-ol?
The IUPAC name of (3S,6S)-3,6-bis(hydroxymethyl)-2-methoxyoxan-4-ol (CID 143771593) is (3S,6S)-3,6-bis(hydroxymethyl)-2-methoxyoxan-4-ol.
What is the SMILES notation for (3S,6S)-3,6-bis(hydroxymethyl)-2-methoxyoxan-4-ol?
The canonical SMILES for (3S,6S)-3,6-bis(hydroxymethyl)-2-methoxyoxan-4-ol is COC1O[C@H](CO)CC(O)[C@@H]1CO.
What is the InChIKey of (3S,6S)-3,6-bis(hydroxymethyl)-2-methoxyoxan-4-ol?
The InChIKey is MCRUVCDFIHGPBM-LHZZQDSXSA-N. The full InChI is InChI=1S/C8H16O5/c1-12-8-6(4-10)7(11)2-5(3-9)13-8/h5-11H,2-4H2,1H3/t5-,6-,7?,8?/m0/s1.
What are the key properties of (3S,6S)-3,6-bis(hydroxymethyl)-2-methoxyoxan-4-ol?
(3S,6S)-3,6-bis(hydroxymethyl)-2-methoxyoxan-4-ol has a molecular weight of 192.21 g/mol, XLogP of -1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3,6-bis(hydroxymethyl)-2-methoxyoxan-4-ol is sourced from PubChem (CID 143771593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).