(2R,3R,4R,5R,6S)-6-methyl-3-propoxyoxane-2,4,5-triol

C9H18O5 — CID 121254748

IUPAC(2R,3R,4R,5R,6S)-6-methyl-3-propoxyoxane-2,4,5-triol
SMILESCCCO[C@@H]1[C@H](O)[C@@H](O)[C@H](C)O[C@H]1O
InChIInChI=1S/C9H18O5/c1-3-4-13-8-7(11)6(10)5(2)14-9(8)12/h5-12H,3-4H2,1-2H3/t5-,6-,7+,8+,9+/m0/s1
InChIKeyLEPCKULAJJOWFM-OFPUPOEVSA-N
MW206.24 g/mol
LogP-0.76
Rot. Bonds3

About (2R,3R,4R,5R,6S)-6-methyl-3-propoxyoxane-2,4,5-triol

(2R,3R,4R,5R,6S)-6-methyl-3-propoxyoxane-2,4,5-triol (PubChem CID 121254748) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2R,3R,4R,5R,6S)-6-methyl-3-propoxyoxane-2,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6S)-6-methyl-3-propoxyoxane-2,4,5-triol
PubChem CID121254748
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name(2R,3R,4R,5R,6S)-6-methyl-3-propoxyoxane-2,4,5-triol
SMILESCCCO[C@@H]1[C@H](O)[C@@H](O)[C@H](C)O[C@H]1O
InChIInChI=1S/C9H18O5/c1-3-4-13-8-7(11)6(10)5(2)14-9(8)12/h5-12H,3-4H2,1-2H3/t5-,6-,7+,8+,9+/m0/s1
InChIKeyLEPCKULAJJOWFM-OFPUPOEVSA-N
XLogP-0.76
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 ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methyl-5-propoxyoxane-3,4-diol
CID 139318361
3,5-dimethoxy-6-methyl-4-propoxyoxan-2-ol
CID 76621622
(2S,3S,4S,5S,6R)-2,5-dimethyl-6-propoxyoxane-3,4-diol
CID 122522436
(3S,4S,5S,6R)-3-methoxy-6-methyloxane-2,4,5-triol
CID 129188331
(2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5S,6R)-5-hydroxy-2-methyl-6-propoxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 102375326
(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 101369112
(2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
CID 129314639
CID 171369816
CID 171369816
(3S,4R,5R)-6-methyloxane-2,3,4,5-tetrol
CID 59897521
(3R,4R,5R,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 90472741
(2R,3R,4S,5R,6R)-6-methyl-3-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2,4,5-triol
CID 91860100
(3R,4R,5R,6S)-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2,4,5-triol
CID 91848231

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6S)-6-methyl-3-propoxyoxane-2,4,5-triol?
The IUPAC name of (2R,3R,4R,5R,6S)-6-methyl-3-propoxyoxane-2,4,5-triol (CID 121254748) is (2R,3R,4R,5R,6S)-6-methyl-3-propoxyoxane-2,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5R,6S)-6-methyl-3-propoxyoxane-2,4,5-triol?
The canonical SMILES for (2R,3R,4R,5R,6S)-6-methyl-3-propoxyoxane-2,4,5-triol is CCCO[C@@H]1[C@H](O)[C@@H](O)[C@H](C)O[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R,6S)-6-methyl-3-propoxyoxane-2,4,5-triol?
The InChIKey is LEPCKULAJJOWFM-OFPUPOEVSA-N. The full InChI is InChI=1S/C9H18O5/c1-3-4-13-8-7(11)6(10)5(2)14-9(8)12/h5-12H,3-4H2,1-2H3/t5-,6-,7+,8+,9+/m0/s1.
What are the key properties of (2R,3R,4R,5R,6S)-6-methyl-3-propoxyoxane-2,4,5-triol?
(2R,3R,4R,5R,6S)-6-methyl-3-propoxyoxane-2,4,5-triol has a molecular weight of 206.24 g/mol, XLogP of -0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6S)-6-methyl-3-propoxyoxane-2,4,5-triol is sourced from PubChem (CID 121254748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).