(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-5-methyl-6-(2-phenylphenoxy)oxane-3,4-diol

C19H22O5 — CID 170240327

IUPAC(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-5-methyl-6-(2-phenylphenoxy)oxane-3,4-diol
SMILESC[C@H]1[C@H](Oc2ccccc2-c2ccccc2)O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C19H22O5/c1-12-17(21)18(22)16(11-20)24-19(12)23-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10,12,16-22H,11H2,1H3/t12-,16-,17-,18+,19-/m1/s1
InChIKeyPRSGJZQSUAKYHP-BGKSWFOJSA-N
MW330.38 g/mol
LogP1.81
Rot. Bonds4

About (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-5-methyl-6-(2-phenylphenoxy)oxane-3,4-diol

(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-5-methyl-6-(2-phenylphenoxy)oxane-3,4-diol (PubChem CID 170240327) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-5-methyl-6-(2-phenylphenoxy)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-5-methyl-6-(2-phenylphenoxy)oxane-3,4-diol
PubChem CID170240327
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-5-methyl-6-(2-phenylphenoxy)oxane-3,4-diol
SMILESC[C@H]1[C@H](Oc2ccccc2-c2ccccc2)O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C19H22O5/c1-12-17(21)18(22)16(11-20)24-19(12)23-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10,12,16-22H,11H2,1H3/t12-,16-,17-,18+,19-/m1/s1
InChIKeyPRSGJZQSUAKYHP-BGKSWFOJSA-N
XLogP1.81
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R,6S)-6-[2-(3-fluorophenyl)phenoxy]-2-(hydroxymethyl)-5-methyloxane-3,4-diol
CID 160775249
(3R,4R,6S)-2-(hydroxymethyl)-5-methyl-6-[2-[3-(trifluoromethyl)phenyl]phenoxy]oxane-3,4-diol
CID 161009433
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(2-methyl-3-phenylphenoxy)oxane-3,4,5-triol
CID 68767837
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
CID 91598575
(4R,5S)-2-(hydroxymethyl)-5-methyl-6-phenylmethoxyoxane-3,4-diol
CID 129223206
(2R,3S,4S,5S,6R)-2-[2-[3-(2-hydroxyethyl)phenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 54271958
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 70179974
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 742489
2-[2-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenoxy]acetic acid
CID 71717239
2-[3-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenoxy]acetic acid
CID 19389574
N-[3-[2-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]methanesulfonamide
CID 149283677
(2S,3R,4S,5S,6R)-2-(2,4-dimethoxy-3,6-diphenylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 139586295

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-5-methyl-6-(2-phenylphenoxy)oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-5-methyl-6-(2-phenylphenoxy)oxane-3,4-diol (CID 170240327) is (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-5-methyl-6-(2-phenylphenoxy)oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-5-methyl-6-(2-phenylphenoxy)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-5-methyl-6-(2-phenylphenoxy)oxane-3,4-diol is C[C@H]1[C@H](Oc2ccccc2-c2ccccc2)O[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-5-methyl-6-(2-phenylphenoxy)oxane-3,4-diol?
The InChIKey is PRSGJZQSUAKYHP-BGKSWFOJSA-N. The full InChI is InChI=1S/C19H22O5/c1-12-17(21)18(22)16(11-20)24-19(12)23-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10,12,16-22H,11H2,1H3/t12-,16-,17-,18+,19-/m1/s1.
What are the key properties of (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-5-methyl-6-(2-phenylphenoxy)oxane-3,4-diol?
(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-5-methyl-6-(2-phenylphenoxy)oxane-3,4-diol has a molecular weight of 330.38 g/mol, XLogP of 1.81, 4 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)-2-(hydroxymethyl)-5-methyl-6-(2-phenylphenoxy)oxane-3,4-diol is sourced from PubChem (CID 170240327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).