(2S,3R,4S,5S,6R)-2-[(2S)-2-hydroxypropyl]-6-methyloxane-3,4,5-triol

C9H18O5 — CID 59696974

IUPAC(2S,3R,4S,5S,6R)-2-[(2S)-2-hydroxypropyl]-6-methyloxane-3,4,5-triol
SMILESC[C@H](O)C[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C9H18O5/c1-4(10)3-6-8(12)9(13)7(11)5(2)14-6/h4-13H,3H2,1-2H3/t4-,5+,6-,7+,8-,9-/m0/s1
InChIKeyBYWBXLIEQSZKIY-WEHQQBAWSA-N
MW206.24 g/mol
LogP-1.37
Rot. Bonds2

About (2S,3R,4S,5S,6R)-2-[(2S)-2-hydroxypropyl]-6-methyloxane-3,4,5-triol

(2S,3R,4S,5S,6R)-2-[(2S)-2-hydroxypropyl]-6-methyloxane-3,4,5-triol (PubChem CID 59696974) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-2-[(2S)-2-hydroxypropyl]-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6R)-2-[(2S)-2-hydroxypropyl]-6-methyloxane-3,4,5-triol
PubChem CID59696974
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name(2S,3R,4S,5S,6R)-2-[(2S)-2-hydroxypropyl]-6-methyloxane-3,4,5-triol
SMILESC[C@H](O)C[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C9H18O5/c1-4(10)3-6-8(12)9(13)7(11)5(2)14-6/h4-13H,3H2,1-2H3/t4-,5+,6-,7+,8-,9-/m0/s1
InChIKeyBYWBXLIEQSZKIY-WEHQQBAWSA-N
XLogP-1.37
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S,3R,4S,5S,6R)-2-[(2S)-2-hydroxypropyl]-6-methyloxane-3,4,5-triol with MolForge

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Related Compounds

(3S,4S,6R)-2-methyl-6-(2-methylpropyl)oxane-3,4,5-triol
CID 118580383
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(2-hydroxypropyl)oxane-3,4,5-triol
CID 25109604
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 118332787
(3R,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 67472419
(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 89126966
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59116084
(4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 143617458
2-methyl-6-(sulfanylmethyl)oxane-3,4,5-triol
CID 59680726
actinium;(3R,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59934625
2-(3,4,5-trihydroxy-6-methyloxan-2-yl)acetaldehyde
CID 88533979
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669
(3S,4R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59039787

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-2-[(2S)-2-hydroxypropyl]-6-methyloxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5S,6R)-2-[(2S)-2-hydroxypropyl]-6-methyloxane-3,4,5-triol (CID 59696974) is (2S,3R,4S,5S,6R)-2-[(2S)-2-hydroxypropyl]-6-methyloxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5S,6R)-2-[(2S)-2-hydroxypropyl]-6-methyloxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5S,6R)-2-[(2S)-2-hydroxypropyl]-6-methyloxane-3,4,5-triol is C[C@H](O)C[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-[(2S)-2-hydroxypropyl]-6-methyloxane-3,4,5-triol?
The InChIKey is BYWBXLIEQSZKIY-WEHQQBAWSA-N. The full InChI is InChI=1S/C9H18O5/c1-4(10)3-6-8(12)9(13)7(11)5(2)14-6/h4-13H,3H2,1-2H3/t4-,5+,6-,7+,8-,9-/m0/s1.
What are the key properties of (2S,3R,4S,5S,6R)-2-[(2S)-2-hydroxypropyl]-6-methyloxane-3,4,5-triol?
(2S,3R,4S,5S,6R)-2-[(2S)-2-hydroxypropyl]-6-methyloxane-3,4,5-triol has a molecular weight of 206.24 g/mol, XLogP of -1.37, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6R)-2-[(2S)-2-hydroxypropyl]-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 59696974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).