(2S,3R,5S)-5-[hydroxy(phenyl)methoxy]-2-methyl-3-phenylmethoxyoxan-4-ol

C20H24O5 — CID 59032086

IUPAC(2S,3R,5S)-5-[hydroxy(phenyl)methoxy]-2-methyl-3-phenylmethoxyoxan-4-ol
SMILESC[C@@H]1OC[C@H](OC(O)c2ccccc2)C(O)[C@H]1OCc1ccccc1
InChIInChI=1S/C20H24O5/c1-14-19(24-12-15-8-4-2-5-9-15)18(21)17(13-23-14)25-20(22)16-10-6-3-7-11-16/h2-11,14,17-22H,12-13H2,1H3/t14-,17-,18?,19-,20?/m0/s1
InChIKeyVKTVCGLHABDZDO-KKQICICFSA-N
MW344.41 g/mol
LogP2.43
Rot. Bonds6

About (2S,3R,5S)-5-[hydroxy(phenyl)methoxy]-2-methyl-3-phenylmethoxyoxan-4-ol

(2S,3R,5S)-5-[hydroxy(phenyl)methoxy]-2-methyl-3-phenylmethoxyoxan-4-ol (PubChem CID 59032086) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2S,3R,5S)-5-[hydroxy(phenyl)methoxy]-2-methyl-3-phenylmethoxyoxan-4-ol.

Molecular Properties

Compound Name(2S,3R,5S)-5-[hydroxy(phenyl)methoxy]-2-methyl-3-phenylmethoxyoxan-4-ol
PubChem CID59032086
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name(2S,3R,5S)-5-[hydroxy(phenyl)methoxy]-2-methyl-3-phenylmethoxyoxan-4-ol
SMILESC[C@@H]1OC[C@H](OC(O)c2ccccc2)C(O)[C@H]1OCc1ccccc1
InChIInChI=1S/C20H24O5/c1-14-19(24-12-15-8-4-2-5-9-15)18(21)17(13-23-14)25-20(22)16-10-6-3-7-11-16/h2-11,14,17-22H,12-13H2,1H3/t14-,17-,18?,19-,20?/m0/s1
InChIKeyVKTVCGLHABDZDO-KKQICICFSA-N
XLogP2.43
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4R,5R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
CID 144531993
6-[[hydroxy(phenyl)methoxy]methyl]-5-methyl-4-phenylmethoxyoxan-3-ol
CID 123411187
(3R,4S,5R,6S)-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
CID 122658990
(2S,3S,5S)-2,6-dimethyl-4-phenylmethoxyoxane-3,5-diol
CID 167585367
(3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane
CID 158772730
(2R,3S,4S,5R,6R)-2-methyl-3,5,6-tris(phenylmethoxy)oxan-4-ol
CID 11080578
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-methyl-4-phenylmethoxyoxolan-3-ol
CID 58747870
(2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol
CID 14052144
(2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol
CID 1284354
3-phenylmethoxyoxane-2,4,5-triol
CID 19602254
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-5-[hydroxy(phenyl)methoxy]-2-methyl-3-phenylmethoxyoxan-4-ol?
The IUPAC name of (2S,3R,5S)-5-[hydroxy(phenyl)methoxy]-2-methyl-3-phenylmethoxyoxan-4-ol (CID 59032086) is (2S,3R,5S)-5-[hydroxy(phenyl)methoxy]-2-methyl-3-phenylmethoxyoxan-4-ol.
What is the SMILES notation for (2S,3R,5S)-5-[hydroxy(phenyl)methoxy]-2-methyl-3-phenylmethoxyoxan-4-ol?
The canonical SMILES for (2S,3R,5S)-5-[hydroxy(phenyl)methoxy]-2-methyl-3-phenylmethoxyoxan-4-ol is C[C@@H]1OC[C@H](OC(O)c2ccccc2)C(O)[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3R,5S)-5-[hydroxy(phenyl)methoxy]-2-methyl-3-phenylmethoxyoxan-4-ol?
The InChIKey is VKTVCGLHABDZDO-KKQICICFSA-N. The full InChI is InChI=1S/C20H24O5/c1-14-19(24-12-15-8-4-2-5-9-15)18(21)17(13-23-14)25-20(22)16-10-6-3-7-11-16/h2-11,14,17-22H,12-13H2,1H3/t14-,17-,18?,19-,20?/m0/s1.
What are the key properties of (2S,3R,5S)-5-[hydroxy(phenyl)methoxy]-2-methyl-3-phenylmethoxyoxan-4-ol?
(2S,3R,5S)-5-[hydroxy(phenyl)methoxy]-2-methyl-3-phenylmethoxyoxan-4-ol has a molecular weight of 344.41 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S)-5-[hydroxy(phenyl)methoxy]-2-methyl-3-phenylmethoxyoxan-4-ol is sourced from PubChem (CID 59032086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).