(1R)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]propan-1-ol

C32H56O7Si — CID 11169183

IUPAC(1R)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]propan-1-ol
SMILESCC1(C)O[C@H](CC[C@@H](O)[C@H]2C[C@@H](CCO[Si](C)(C)C(C)(C)C)OC(C)(C)O2)C[C@H](CCOCc2ccccc2)O1
InChIInChI=1S/C32H56O7Si/c1-30(2,3)40(8,9)35-20-18-27-22-29(39-32(6,7)38-27)28(33)16-15-25-21-26(37-31(4,5)36-25)17-19-34-23-24-13-11-10-12-14-24/h10-14,25-29,33H,15-23H2,1-9H3/t25-,26+,27-,28-,29-/m1/s1
InChIKeyMXFUXNPSTLJKFK-FUIJPYTFSA-N
MW580.88 g/mol
LogP6.97
Rot. Bonds13

About (1R)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]propan-1-ol

(1R)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]propan-1-ol (PubChem CID 11169183) has the molecular formula C32H56O7Si and a molecular weight of 580.88 g/mol. Its IUPAC name is (1R)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]propan-1-ol
PubChem CID11169183
Molecular FormulaC32H56O7Si
Molecular Weight580.88 g/mol
Exact Mass580.38
IUPAC Name(1R)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]propan-1-ol
SMILESCC1(C)O[C@H](CC[C@@H](O)[C@H]2C[C@@H](CCO[Si](C)(C)C(C)(C)C)OC(C)(C)O2)C[C@H](CCOCc2ccccc2)O1
InChIInChI=1S/C32H56O7Si/c1-30(2,3)40(8,9)35-20-18-27-22-29(39-32(6,7)38-27)28(33)16-15-25-21-26(37-31(4,5)36-25)17-19-34-23-24-13-11-10-12-14-24/h10-14,25-29,33H,15-23H2,1-9H3/t25-,26+,27-,28-,29-/m1/s1
InChIKeyMXFUXNPSTLJKFK-FUIJPYTFSA-N
XLogP6.97
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.88
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (1R)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]propan-1-ol with MolForge

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Related Compounds

Benzyl b-primeveroside
CID 14730864
Hydrangeifolin I
CID 10549806
Benzyl beta-d-glucopyranoside
CID 188977
Benzyl beta-primeveroside
CID 131248
Phenylmethyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
CID 6453389
Dibenzylidenesorbitol
CID 10926424
(2S,3S,4R,5R,6S)-2-[(3R,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4-phenylmethoxyoxane-3,5-diol
CID 44559130
Methyl 2,3,4-tri-O-benzyl-alpha-D-glucopyranoside
CID 11190476
beta-D-Galactopyranoside, phenylmethyl
CID 11032917
methyl 4,6-O-benzylidene-alpha-D-glucopyranoside
CID 11822086
2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 4984739
Benzyl b-sophoropyranoside
CID 73157713

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]propan-1-ol?
The IUPAC name of (1R)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]propan-1-ol (CID 11169183) is (1R)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]propan-1-ol.
What is the SMILES notation for (1R)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]propan-1-ol?
The canonical SMILES for (1R)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]propan-1-ol is CC1(C)O[C@H](CC[C@@H](O)[C@H]2C[C@@H](CCO[Si](C)(C)C(C)(C)C)OC(C)(C)O2)C[C@H](CCOCc2ccccc2)O1.
What is the InChIKey of (1R)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]propan-1-ol?
The InChIKey is MXFUXNPSTLJKFK-FUIJPYTFSA-N. The full InChI is InChI=1S/C32H56O7Si/c1-30(2,3)40(8,9)35-20-18-27-22-29(39-32(6,7)38-27)28(33)16-15-25-21-26(37-31(4,5)36-25)17-19-34-23-24-13-11-10-12-14-24/h10-14,25-29,33H,15-23H2,1-9H3/t25-,26+,27-,28-,29-/m1/s1.
What are the key properties of (1R)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]propan-1-ol?
(1R)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]propan-1-ol has a molecular weight of 580.88 g/mol, XLogP of 6.97, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]propan-1-ol is sourced from PubChem (CID 11169183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).