(2R,3R,4S,5S)-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol

C9H18O5 — CID 10943643

IUPAC(2R,3R,4S,5S)-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol
SMILESCOC[C@H]1OC[C@H](OC)[C@@H](OC)[C@@H]1O
InChIInChI=1S/C9H18O5/c1-11-4-6-8(10)9(13-3)7(12-2)5-14-6/h6-10H,4-5H2,1-3H3/t6-,7+,8-,9-/m1/s1
InChIKeyFSHQSETZFKFJAM-BZNPZCIMSA-N
MW206.24 g/mol
LogP-0.58
Rot. Bonds4

About (2R,3R,4S,5S)-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol

(2R,3R,4S,5S)-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol (PubChem CID 10943643) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2R,3R,4S,5S)-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol
PubChem CID10943643
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name(2R,3R,4S,5S)-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol
SMILESCOC[C@H]1OC[C@H](OC)[C@@H](OC)[C@@H]1O
InChIInChI=1S/C9H18O5/c1-11-4-6-8(10)9(13-3)7(12-2)5-14-6/h6-10H,4-5H2,1-3H3/t6-,7+,8-,9-/m1/s1
InChIKeyFSHQSETZFKFJAM-BZNPZCIMSA-N
XLogP-0.58
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4R,5S)-4-methoxy-2-(methoxymethyl)oxane-3,5-diol
CID 54140471
(2S,3S,4S,5S)-3,4,5-trimethoxy-2-(methoxymethyl)oxane
CID 122576492
(3R)-3,4,5-trimethoxy-2-(methoxymethyl)oxane
CID 122461193
(2R,3S,4R,5R)-2-(methoxymethyl)oxane-3,4,5-triol
CID 54109760
[(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol
CID 131019515
3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol
CID 6421426
(2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol
CID 125028190
(2R,3R,4S,5S)-3,5-dimethoxyoxane-2,4-diol
CID 14564498
2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 19699733
2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol
CID 19699685
(2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 18645218
(2R,3S,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol
CID 58017669

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol?
The IUPAC name of (2R,3R,4S,5S)-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol (CID 10943643) is (2R,3R,4S,5S)-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol.
What is the SMILES notation for (2R,3R,4S,5S)-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol?
The canonical SMILES for (2R,3R,4S,5S)-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol is COC[C@H]1OC[C@H](OC)[C@@H](OC)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol?
The InChIKey is FSHQSETZFKFJAM-BZNPZCIMSA-N. The full InChI is InChI=1S/C9H18O5/c1-11-4-6-8(10)9(13-3)7(12-2)5-14-6/h6-10H,4-5H2,1-3H3/t6-,7+,8-,9-/m1/s1.
What are the key properties of (2R,3R,4S,5S)-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol?
(2R,3R,4S,5S)-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol has a molecular weight of 206.24 g/mol, XLogP of -0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol is sourced from PubChem (CID 10943643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).