(4R,5S)-2-(hydroxymethyl)-6-(methoxymethyl)-4-methyloxane-3,5-diol

C9H18O5 — CID 90293180

IUPAC(4R,5S)-2-(hydroxymethyl)-6-(methoxymethyl)-4-methyloxane-3,5-diol
SMILESCOCC1OC(CO)C(O)[C@@H](C)[C@@H]1O
InChIInChI=1S/C9H18O5/c1-5-8(11)6(3-10)14-7(4-13-2)9(5)12/h5-12H,3-4H2,1-2H3/t5-,6?,7?,8?,9+/m1/s1
InChIKeyBYOYRIPTIFUTJI-RBQSLGFRSA-N
MW206.24 g/mol
LogP-1.25
Rot. Bonds3

About (4R,5S)-2-(hydroxymethyl)-6-(methoxymethyl)-4-methyloxane-3,5-diol

(4R,5S)-2-(hydroxymethyl)-6-(methoxymethyl)-4-methyloxane-3,5-diol (PubChem CID 90293180) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is (4R,5S)-2-(hydroxymethyl)-6-(methoxymethyl)-4-methyloxane-3,5-diol.

Molecular Properties

Compound Name(4R,5S)-2-(hydroxymethyl)-6-(methoxymethyl)-4-methyloxane-3,5-diol
PubChem CID90293180
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name(4R,5S)-2-(hydroxymethyl)-6-(methoxymethyl)-4-methyloxane-3,5-diol
SMILESCOCC1OC(CO)C(O)[C@@H](C)[C@@H]1O
InChIInChI=1S/C9H18O5/c1-5-8(11)6(3-10)14-7(4-13-2)9(5)12/h5-12H,3-4H2,1-2H3/t5-,6?,7?,8?,9+/m1/s1
InChIKeyBYOYRIPTIFUTJI-RBQSLGFRSA-N
XLogP-1.25
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,5S)-6-(hydroxymethyl)-4-methyloxane-2,3,5-triol
CID 148775123
(3S,6R)-5-hydroxyiodanuidyl-2-(hydroxymethyl)-6-(methoxymethyl)oxane-3,4-diol
CID 163662270
(2S,4R,5S)-2-[[(2S,4R,5S)-2-[[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(methoxymethyl)oxan-3-yl]methoxymethyl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]methoxymethyl]-6-(hydroxymethyl)-5-(methoxymethyl)oxane-3,4-diol
CID 90899019
(2S,4R,5S)-2-[[(2S,4R,5S)-2-[[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(methoxymethyl)oxan-3-yl]methoxymethyl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]methoxymethyl]-6-(hydroxymethyl)-5-(methoxymethyl)oxane-3,4-diol;(2S,4R,5S)-2-[[(3S,4R,6S)-6-[[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(methoxymethyl)oxan-3-yl]methoxymethyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-6-(hydroxymethyl)-5-(methoxymethyl)oxane-3,4-diol
CID 161244122
(2S,3S,4S,5S,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol
CID 26176683
(2R,3S,4S,5S)-2-(chloromethyl)-5-(methoxymethyl)oxolane-3,4-diol
CID 131010758
(2S,4S,6R)-5-amino-2-(hydroxymethyl)-3,6-bis(methoxymethyl)oxan-4-ol
CID 59707793
(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4-dimethyloxane-2,5-diol
CID 90247742
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2S,3S,4S,5R)-2-(ethoxymethyl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 44538123

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-(hydroxymethyl)-6-(methoxymethyl)-4-methyloxane-3,5-diol?
The IUPAC name of (4R,5S)-2-(hydroxymethyl)-6-(methoxymethyl)-4-methyloxane-3,5-diol (CID 90293180) is (4R,5S)-2-(hydroxymethyl)-6-(methoxymethyl)-4-methyloxane-3,5-diol.
What is the SMILES notation for (4R,5S)-2-(hydroxymethyl)-6-(methoxymethyl)-4-methyloxane-3,5-diol?
The canonical SMILES for (4R,5S)-2-(hydroxymethyl)-6-(methoxymethyl)-4-methyloxane-3,5-diol is COCC1OC(CO)C(O)[C@@H](C)[C@@H]1O.
What is the InChIKey of (4R,5S)-2-(hydroxymethyl)-6-(methoxymethyl)-4-methyloxane-3,5-diol?
The InChIKey is BYOYRIPTIFUTJI-RBQSLGFRSA-N. The full InChI is InChI=1S/C9H18O5/c1-5-8(11)6(3-10)14-7(4-13-2)9(5)12/h5-12H,3-4H2,1-2H3/t5-,6?,7?,8?,9+/m1/s1.
What are the key properties of (4R,5S)-2-(hydroxymethyl)-6-(methoxymethyl)-4-methyloxane-3,5-diol?
(4R,5S)-2-(hydroxymethyl)-6-(methoxymethyl)-4-methyloxane-3,5-diol has a molecular weight of 206.24 g/mol, XLogP of -1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-(hydroxymethyl)-6-(methoxymethyl)-4-methyloxane-3,5-diol is sourced from PubChem (CID 90293180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).