(1R)-1-[(4R,5R,6S)-6-(methoxymethyl)-2-phenyl-5-propan-2-yloxy-1,3-dioxan-4-yl]-2-propan-2-yloxyethanol

C20H32O6 — CID 145215113

IUPAC(1R)-1-[(4R,5R,6S)-6-(methoxymethyl)-2-phenyl-5-propan-2-yloxy-1,3-dioxan-4-yl]-2-propan-2-yloxyethanol
SMILESCOC[C@@H]1OC(c2ccccc2)O[C@H]([C@H](O)COC(C)C)[C@@H]1OC(C)C
InChIInChI=1S/C20H32O6/c1-13(2)23-11-16(21)18-19(24-14(3)4)17(12-22-5)25-20(26-18)15-9-7-6-8-10-15/h6-10,13-14,16-21H,11-12H2,1-5H3/t16-,17+,18-,19-,20?/m1/s1
InChIKeySHLQEEJQJMPTAD-XBYSNUDESA-N
MW368.47 g/mol
LogP2.70
Rot. Bonds9

About (1R)-1-[(4R,5R,6S)-6-(methoxymethyl)-2-phenyl-5-propan-2-yloxy-1,3-dioxan-4-yl]-2-propan-2-yloxyethanol

(1R)-1-[(4R,5R,6S)-6-(methoxymethyl)-2-phenyl-5-propan-2-yloxy-1,3-dioxan-4-yl]-2-propan-2-yloxyethanol (PubChem CID 145215113) has the molecular formula C20H32O6 and a molecular weight of 368.47 g/mol. Its IUPAC name is (1R)-1-[(4R,5R,6S)-6-(methoxymethyl)-2-phenyl-5-propan-2-yloxy-1,3-dioxan-4-yl]-2-propan-2-yloxyethanol.

Molecular Properties

Compound Name(1R)-1-[(4R,5R,6S)-6-(methoxymethyl)-2-phenyl-5-propan-2-yloxy-1,3-dioxan-4-yl]-2-propan-2-yloxyethanol
PubChem CID145215113
Molecular FormulaC20H32O6
Molecular Weight368.47 g/mol
Exact Mass368.22
IUPAC Name(1R)-1-[(4R,5R,6S)-6-(methoxymethyl)-2-phenyl-5-propan-2-yloxy-1,3-dioxan-4-yl]-2-propan-2-yloxyethanol
SMILESCOC[C@@H]1OC(c2ccccc2)O[C@H]([C@H](O)COC(C)C)[C@@H]1OC(C)C
InChIInChI=1S/C20H32O6/c1-13(2)23-11-16(21)18-19(24-14(3)4)17(12-22-5)25-20(26-18)15-9-7-6-8-10-15/h6-10,13-14,16-21H,11-12H2,1-5H3/t16-,17+,18-,19-,20?/m1/s1
InChIKeySHLQEEJQJMPTAD-XBYSNUDESA-N
XLogP2.70
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R)-1-[(4R,5R,6S)-6-(methoxymethyl)-2-phenyl-5-propan-2-yloxy-1,3-dioxan-4-yl]-2-propan-2-yloxyethanol with MolForge

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Launch Full Analysis

Related Compounds

(4S,5S)-4,5-bis(methoxymethyl)-2-phenyl-1,3-dioxolane
CID 14265871
(3aS,5R,6R,6aS)-6-methoxy-5-(methoxymethyl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 102504528
1-[(2R,4R,5S,6S)-5-methyl-2-phenyl-6-propan-2-yl-1,3-dioxan-4-yl]propan-2-one
CID 10446163
[(4S,5R,6R)-5-hydroxy-6-[(1R)-1-hydroxy-2-(4-methylphenyl)sulfonyloxyethyl]-2-phenyl-1,3-dioxan-4-yl]methyl 4-methylbenzenesulfonate
CID 134882619
(1R)-1-[(2S,4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol
CID 11075553
ethane;1-[5-hydroxy-6-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol
CID 91482861
[(2R,4R,5S,6R)-6-[bis(ethylsulfanyl)methyl]-5-methoxy-2-phenyl-1,3-dioxan-4-yl]methanol
CID 44588353
[(4R,5R)-5-[(1R)-1,2-diacetyloxyethyl]-2-phenyl-1,3-dioxolan-4-yl]methyl acetate
CID 23250979
(E,3R)-1-[(2S,4S,5S,6R)-5-(methoxymethoxy)-2-phenyl-6-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-4-yl]pent-1-en-3-ol
CID 24850809
[(4S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 719727
bis[2-(2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-2-hydroxyethyl] 13,14-dipentylhexacosanedioate
CID 88904239
(2S,3S)-2-amino-3-methoxy-3-[[(4S)-4-methyl-2-phenyl-1,3-dioxan-5-yl]oxy]propan-1-ol
CID 129100034

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4R,5R,6S)-6-(methoxymethyl)-2-phenyl-5-propan-2-yloxy-1,3-dioxan-4-yl]-2-propan-2-yloxyethanol?
The IUPAC name of (1R)-1-[(4R,5R,6S)-6-(methoxymethyl)-2-phenyl-5-propan-2-yloxy-1,3-dioxan-4-yl]-2-propan-2-yloxyethanol (CID 145215113) is (1R)-1-[(4R,5R,6S)-6-(methoxymethyl)-2-phenyl-5-propan-2-yloxy-1,3-dioxan-4-yl]-2-propan-2-yloxyethanol.
What is the SMILES notation for (1R)-1-[(4R,5R,6S)-6-(methoxymethyl)-2-phenyl-5-propan-2-yloxy-1,3-dioxan-4-yl]-2-propan-2-yloxyethanol?
The canonical SMILES for (1R)-1-[(4R,5R,6S)-6-(methoxymethyl)-2-phenyl-5-propan-2-yloxy-1,3-dioxan-4-yl]-2-propan-2-yloxyethanol is COC[C@@H]1OC(c2ccccc2)O[C@H]([C@H](O)COC(C)C)[C@@H]1OC(C)C.
What is the InChIKey of (1R)-1-[(4R,5R,6S)-6-(methoxymethyl)-2-phenyl-5-propan-2-yloxy-1,3-dioxan-4-yl]-2-propan-2-yloxyethanol?
The InChIKey is SHLQEEJQJMPTAD-XBYSNUDESA-N. The full InChI is InChI=1S/C20H32O6/c1-13(2)23-11-16(21)18-19(24-14(3)4)17(12-22-5)25-20(26-18)15-9-7-6-8-10-15/h6-10,13-14,16-21H,11-12H2,1-5H3/t16-,17+,18-,19-,20?/m1/s1.
What are the key properties of (1R)-1-[(4R,5R,6S)-6-(methoxymethyl)-2-phenyl-5-propan-2-yloxy-1,3-dioxan-4-yl]-2-propan-2-yloxyethanol?
(1R)-1-[(4R,5R,6S)-6-(methoxymethyl)-2-phenyl-5-propan-2-yloxy-1,3-dioxan-4-yl]-2-propan-2-yloxyethanol has a molecular weight of 368.47 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4R,5R,6S)-6-(methoxymethyl)-2-phenyl-5-propan-2-yloxy-1,3-dioxan-4-yl]-2-propan-2-yloxyethanol is sourced from PubChem (CID 145215113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).