(2S,3R,4S,5S,6R)-2-(3-methoxypropoxy)-6-methyloxane-3,4,5-triol

C10H20O6 — CID 163622719

IUPAC(2S,3R,4S,5S,6R)-2-(3-methoxypropoxy)-6-methyloxane-3,4,5-triol
SMILESCOCCCO[C@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H20O6/c1-6-7(11)8(12)9(13)10(16-6)15-5-3-4-14-2/h6-13H,3-5H2,1-2H3/t6-,7-,8+,9-,10+/m1/s1
InChIKeyYCMYYJFUEDAKCK-SPFKKGSWSA-N
MW236.26 g/mol
LogP-1.13
Rot. Bonds5

About (2S,3R,4S,5S,6R)-2-(3-methoxypropoxy)-6-methyloxane-3,4,5-triol

(2S,3R,4S,5S,6R)-2-(3-methoxypropoxy)-6-methyloxane-3,4,5-triol (PubChem CID 163622719) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-2-(3-methoxypropoxy)-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6R)-2-(3-methoxypropoxy)-6-methyloxane-3,4,5-triol
PubChem CID163622719
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name(2S,3R,4S,5S,6R)-2-(3-methoxypropoxy)-6-methyloxane-3,4,5-triol
SMILESCOCCCO[C@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H20O6/c1-6-7(11)8(12)9(13)10(16-6)15-5-3-4-14-2/h6-13H,3-5H2,1-2H3/t6-,7-,8+,9-,10+/m1/s1
InChIKeyYCMYYJFUEDAKCK-SPFKKGSWSA-N
XLogP-1.13
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4S,5R,6R)-2-heptoxy-6-methyloxane-3,4,5-triol
CID 102241828
(3S,4R,5S,6S)-2-dodecoxy-6-methyloxane-3,4,5-triol
CID 90849789
(2R,3R,4S,5R)-2-methyl-6-pent-4-enoxyoxane-3,4,5-triol
CID 121217017
(2R,3S,4R,5S,6S)-2-(2-bromoethoxy)-6-methyloxane-3,4,5-triol
CID 129411527
(2R,3S,4R,5S,6S)-2-(2-chloroethoxy)-6-methyloxane-3,4,5-triol
CID 102133392
2-methyl-6-(2-sulfanylethoxy)oxane-3,4,5-triol
CID 122463656
(3S,6R)-2-methyl-6-(3-methylbutoxy)oxane-3,4,5-triol
CID 153067799
actinium;methyl 6-[(2R,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexanoate
CID 59891658
(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol
CID 90276853
(2R,5R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 59892948
(2R,3R,5S)-2-methoxy-6-methyloxane-3,4,5-triol
CID 155602482
(2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 12904923

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-2-(3-methoxypropoxy)-6-methyloxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5S,6R)-2-(3-methoxypropoxy)-6-methyloxane-3,4,5-triol (CID 163622719) is (2S,3R,4S,5S,6R)-2-(3-methoxypropoxy)-6-methyloxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5S,6R)-2-(3-methoxypropoxy)-6-methyloxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5S,6R)-2-(3-methoxypropoxy)-6-methyloxane-3,4,5-triol is COCCCO[C@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5S,6R)-2-(3-methoxypropoxy)-6-methyloxane-3,4,5-triol?
The InChIKey is YCMYYJFUEDAKCK-SPFKKGSWSA-N. The full InChI is InChI=1S/C10H20O6/c1-6-7(11)8(12)9(13)10(16-6)15-5-3-4-14-2/h6-13H,3-5H2,1-2H3/t6-,7-,8+,9-,10+/m1/s1.
What are the key properties of (2S,3R,4S,5S,6R)-2-(3-methoxypropoxy)-6-methyloxane-3,4,5-triol?
(2S,3R,4S,5S,6R)-2-(3-methoxypropoxy)-6-methyloxane-3,4,5-triol has a molecular weight of 236.26 g/mol, XLogP of -1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6R)-2-(3-methoxypropoxy)-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 163622719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).