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

C6H12O4 — CID 89321348

IUPAC(2R,4R,5S)-2-methyloxane-3,4,5-triol
SMILESC[C@H]1OC[C@H](O)[C@@H](O)C1O
InChIInChI=1S/C6H12O4/c1-3-5(8)6(9)4(7)2-10-3/h3-9H,2H2,1H3/t3-,4+,5?,6-/m1/s1
InChIKeyKBVSUNBCTPQWJL-WGDKFINWSA-N
MW148.16 g/mol
LogP-1.51
Rot. Bonds

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

(2R,4R,5S)-2-methyloxane-3,4,5-triol (PubChem CID 89321348) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (2R,4R,5S)-2-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,4R,5S)-2-methyloxane-3,4,5-triol
PubChem CID89321348
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(2R,4R,5S)-2-methyloxane-3,4,5-triol
SMILESC[C@H]1OC[C@H](O)[C@@H](O)C1O
InChIInChI=1S/C6H12O4/c1-3-5(8)6(9)4(7)2-10-3/h3-9H,2H2,1H3/t3-,4+,5?,6-/m1/s1
InChIKeyKBVSUNBCTPQWJL-WGDKFINWSA-N
XLogP-1.51
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S,4R,5S)-2-methyloxane-3,4,5-triol
CID 59378770
(2S,5R)-2-methyloxane-3,4,5-triol
CID 67963515
(2S,3R,4R)-2-methyloxolane-3,4-diol
CID 101241466
(2R,3S,4R,5S)-4-methoxy-2-methyloxane-3,5-diol
CID 130831748
(2R,3R,4S,5S)-5-fluoro-2-methyloxane-3,4-diol
CID 57124283
(2R,4R,5S)-5-amino-2-methyloxane-3,4-diol
CID 91820713
(3S,4R,5R,6R)-6-methyl-5-propan-2-yloxyoxane-3,4-diol
CID 100998822
(2R,3R,4S)-4-fluoro-2-methyloxolan-3-ol
CID 174197910
(2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5S)-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 54220303
(4,5-dihydroxy-2-methyloxan-3-yl) acetate
CID 134971555
[(2S,3S,4S,5R)-4,5-dihydroxy-2-methyloxan-3-yl] hydrogen sulfate
CID 22874580
(4S,5R)-oxane-2,3,4,5-tetrol
CID 71313478

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S)-2-methyloxane-3,4,5-triol?
The IUPAC name of (2R,4R,5S)-2-methyloxane-3,4,5-triol (CID 89321348) is (2R,4R,5S)-2-methyloxane-3,4,5-triol.
What is the SMILES notation for (2R,4R,5S)-2-methyloxane-3,4,5-triol?
The canonical SMILES for (2R,4R,5S)-2-methyloxane-3,4,5-triol is C[C@H]1OC[C@H](O)[C@@H](O)C1O.
What is the InChIKey of (2R,4R,5S)-2-methyloxane-3,4,5-triol?
The InChIKey is KBVSUNBCTPQWJL-WGDKFINWSA-N. The full InChI is InChI=1S/C6H12O4/c1-3-5(8)6(9)4(7)2-10-3/h3-9H,2H2,1H3/t3-,4+,5?,6-/m1/s1.
What are the key properties of (2R,4R,5S)-2-methyloxane-3,4,5-triol?
(2R,4R,5S)-2-methyloxane-3,4,5-triol has a molecular weight of 148.16 g/mol, XLogP of -1.51, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S)-2-methyloxane-3,4,5-triol is sourced from PubChem (CID 89321348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).