(3R,4S,5R)-5-(methoxymethoxy)-5-phenylpentane-1,3,4-triol

C13H20O5 — CID 134857946

IUPAC(3R,4S,5R)-5-(methoxymethoxy)-5-phenylpentane-1,3,4-triol
SMILESCOCO[C@H](c1ccccc1)[C@@H](O)[C@H](O)CCO
InChIInChI=1S/C13H20O5/c1-17-9-18-13(10-5-3-2-4-6-10)12(16)11(15)7-8-14/h2-6,11-16H,7-9H2,1H3/t11-,12+,13-/m1/s1
InChIKeyACWDUKXUOOGMTP-FRRDWIJNSA-N
MW256.30 g/mol
LogP0.45
Rot. Bonds8

About (3R,4S,5R)-5-(methoxymethoxy)-5-phenylpentane-1,3,4-triol

(3R,4S,5R)-5-(methoxymethoxy)-5-phenylpentane-1,3,4-triol (PubChem CID 134857946) has the molecular formula C13H20O5 and a molecular weight of 256.30 g/mol. Its IUPAC name is (3R,4S,5R)-5-(methoxymethoxy)-5-phenylpentane-1,3,4-triol.

Molecular Properties

Compound Name(3R,4S,5R)-5-(methoxymethoxy)-5-phenylpentane-1,3,4-triol
PubChem CID134857946
Molecular FormulaC13H20O5
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Name(3R,4S,5R)-5-(methoxymethoxy)-5-phenylpentane-1,3,4-triol
SMILESCOCO[C@H](c1ccccc1)[C@@H](O)[C@H](O)CCO
InChIInChI=1S/C13H20O5/c1-17-9-18-13(10-5-3-2-4-6-10)12(16)11(15)7-8-14/h2-6,11-16H,7-9H2,1H3/t11-,12+,13-/m1/s1
InChIKeyACWDUKXUOOGMTP-FRRDWIJNSA-N
XLogP0.45
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.45
H-Bond Donors ≤ 53
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

(1R,2S,3R)-1-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-1-phenylpentane-2,3-diol
CID 54598131
(1R,2S,3R,5S)-1,5-bis(methoxymethoxy)-1-phenyl-7-phenylmethoxyheptane-2,3-diol
CID 25146672
(2R)-2-[(1R,2R)-1-hydroxy-2-(methoxymethoxy)-2-phenylethyl]cyclopentan-1-one
CID 135042856
(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
CID 14249015
1-methoxy-1-phenylbutan-2-ol
CID 116756893
1-methoxy-6-methyl-1-phenylheptan-2-ol
CID 116756994
(1S,2S)-2-(methoxymethoxy)-1-phenylbut-3-yn-1-ol
CID 10655873
1-phenylpropane-1,3-diol
CID 572059
(1R,2R)-1-(3,4-dichlorophenyl)-1-(methoxymethoxy)propan-2-ol
CID 137375691
1-phenylpropane-1,3-diol;hydrobromide
CID 68975268
(3R,6S)-1,8-diethoxy-2,3,6,7-tetrahydroxy-1,8-diphenyloctane-4,5-dione
CID 54296354
1-[(1R,2R)-3-azido-1-(methoxymethoxy)-1-phenylpropan-2-yl]-4-bromobenzene
CID 72546689

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-5-(methoxymethoxy)-5-phenylpentane-1,3,4-triol?
The IUPAC name of (3R,4S,5R)-5-(methoxymethoxy)-5-phenylpentane-1,3,4-triol (CID 134857946) is (3R,4S,5R)-5-(methoxymethoxy)-5-phenylpentane-1,3,4-triol.
What is the SMILES notation for (3R,4S,5R)-5-(methoxymethoxy)-5-phenylpentane-1,3,4-triol?
The canonical SMILES for (3R,4S,5R)-5-(methoxymethoxy)-5-phenylpentane-1,3,4-triol is COCO[C@H](c1ccccc1)[C@@H](O)[C@H](O)CCO.
What is the InChIKey of (3R,4S,5R)-5-(methoxymethoxy)-5-phenylpentane-1,3,4-triol?
The InChIKey is ACWDUKXUOOGMTP-FRRDWIJNSA-N. The full InChI is InChI=1S/C13H20O5/c1-17-9-18-13(10-5-3-2-4-6-10)12(16)11(15)7-8-14/h2-6,11-16H,7-9H2,1H3/t11-,12+,13-/m1/s1.
What are the key properties of (3R,4S,5R)-5-(methoxymethoxy)-5-phenylpentane-1,3,4-triol?
(3R,4S,5R)-5-(methoxymethoxy)-5-phenylpentane-1,3,4-triol has a molecular weight of 256.30 g/mol, XLogP of 0.45, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-5-(methoxymethoxy)-5-phenylpentane-1,3,4-triol is sourced from PubChem (CID 134857946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).