(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-hydroxypropoxy)oxane-2,4,5-triol

C9H18O7 — CID 146628954

IUPAC(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-hydroxypropoxy)oxane-2,4,5-triol
SMILESCC(O)CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C9H18O7/c1-4(11)3-15-8-7(13)6(12)5(2-10)16-9(8)14/h4-14H,2-3H2,1H3/t4?,5-,6+,7+,8-,9-/m1/s1
InChIKeyHFVRIRKKHLPESP-VGPGGAHRSA-N
MW238.24 g/mol
LogP-2.82
Rot. Bonds4

About (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-hydroxypropoxy)oxane-2,4,5-triol

(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-hydroxypropoxy)oxane-2,4,5-triol (PubChem CID 146628954) has the molecular formula C9H18O7 and a molecular weight of 238.24 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-hydroxypropoxy)oxane-2,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-hydroxypropoxy)oxane-2,4,5-triol
PubChem CID146628954
Molecular FormulaC9H18O7
Molecular Weight238.24 g/mol
Exact Mass238.11
IUPAC Name(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-hydroxypropoxy)oxane-2,4,5-triol
SMILESCC(O)CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C9H18O7/c1-4(11)3-15-8-7(13)6(12)5(2-10)16-9(8)14/h4-14H,2-3H2,1H3/t4?,5-,6+,7+,8-,9-/m1/s1
InChIKeyHFVRIRKKHLPESP-VGPGGAHRSA-N
XLogP-2.82
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-2.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[(2S)-2-hydroxypropoxy]oxane-3,4,5-triol
CID 175158371
(2S,3S,4S,5S,6R)-3-ethoxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70232316
(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 67720038
(2S,3S,4S,5S,6S)-3-butoxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 146216378
(1R,3S,5S,6R,8S,10S,11R,13S,15S,16R,18S,20S,21R,23S,25S,26R,28S,30S,31R,33S,35S,36S,37S,38S,39S,40S,41S,42S,43S,44S,45S,46R,47R,48S,49S)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-47-[(2R)-2-hydroxypropoxy]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,48,49-tridecol
CID 50909287
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42S,43R,44S,45R,46R,47R,48S,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-43,45,49-tris[(2S)-2-hydroxypropoxy]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,44,46,47,48-undecol
CID 6604959
ethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 170573273
(2R,3R,4S,5R,6R)-3-[3-(2-decoxyethoxy)-2-hydroxypropoxy]-6-(hydroxymethyl)oxane-2,4,5-triol
CID 67749729
(2R,3R,4S,5R,6R)-3-[3-(docosylamino)-2-hydroxypropoxy]-6-(hydroxymethyl)oxane-2,4,5-triol
CID 67748981
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-prop-2-enoxyoxane-2,4,5-triol
CID 67036661
(2R,3R,4S,5R,6R)-3-(2-bromoethoxy)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 67861357
(3R,4S,5S,6R)-6-(hydroxymethyl)-3-prop-2-enoxyoxane-2,4,5-triol
CID 66647373

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-hydroxypropoxy)oxane-2,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-hydroxypropoxy)oxane-2,4,5-triol (CID 146628954) is (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-hydroxypropoxy)oxane-2,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-hydroxypropoxy)oxane-2,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-hydroxypropoxy)oxane-2,4,5-triol is CC(O)CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-hydroxypropoxy)oxane-2,4,5-triol?
The InChIKey is HFVRIRKKHLPESP-VGPGGAHRSA-N. The full InChI is InChI=1S/C9H18O7/c1-4(11)3-15-8-7(13)6(12)5(2-10)16-9(8)14/h4-14H,2-3H2,1H3/t4?,5-,6+,7+,8-,9-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-hydroxypropoxy)oxane-2,4,5-triol?
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-hydroxypropoxy)oxane-2,4,5-triol has a molecular weight of 238.24 g/mol, XLogP of -2.82, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-hydroxypropoxy)oxane-2,4,5-triol is sourced from PubChem (CID 146628954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).