(2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-4-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]butan-2-ol

C29H56O8Si — CID 11272976

IUPAC(2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-4-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]butan-2-ol
SMILESCC1(C)O[C@H](CC[C@@]2(C)O[C@@H]2CC[C@@](C)(O)[C@@H]2CC[C@@H]([C@](C)(O)COCOCC[Si](C)(C)C)O2)C(C)(C)O1
InChIInChI=1S/C29H56O8Si/c1-25(2)21(35-26(3,4)37-25)14-16-29(7)24(36-29)13-15-27(5,30)22-11-12-23(34-22)28(6,31)19-33-20-32-17-18-38(8,9)10/h21-24,30-31H,11-20H2,1-10H3/t21-,22+,23+,24-,27-,28-,29-/m1/s1
InChIKeyQGBPVHREZYJXHB-QZSSHXJKSA-N
MW560.85 g/mol
LogP5.01
Rot. Bonds15

About (2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-4-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]butan-2-ol

(2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-4-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]butan-2-ol (PubChem CID 11272976) has the molecular formula C29H56O8Si and a molecular weight of 560.85 g/mol. Its IUPAC name is (2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-4-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-4-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]butan-2-ol
PubChem CID11272976
Molecular FormulaC29H56O8Si
Molecular Weight560.85 g/mol
Exact Mass560.37
IUPAC Name(2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-4-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]butan-2-ol
SMILESCC1(C)O[C@H](CC[C@@]2(C)O[C@@H]2CC[C@@](C)(O)[C@@H]2CC[C@@H]([C@](C)(O)COCOCC[Si](C)(C)C)O2)C(C)(C)O1
InChIInChI=1S/C29H56O8Si/c1-25(2)21(35-26(3,4)37-25)14-16-29(7)24(36-29)13-15-27(5,30)22-11-12-23(34-22)28(6,31)19-33-20-32-17-18-38(8,9)10/h21-24,30-31H,11-20H2,1-10H3/t21-,22+,23+,24-,27-,28-,29-/m1/s1
InChIKeyQGBPVHREZYJXHB-QZSSHXJKSA-N
XLogP5.01
TPSA99.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.85
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-4-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]butan-2-ol?
The IUPAC name of (2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-4-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]butan-2-ol (CID 11272976) is (2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-4-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]butan-2-ol.
What is the SMILES notation for (2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-4-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]butan-2-ol?
The canonical SMILES for (2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-4-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]butan-2-ol is CC1(C)O[C@H](CC[C@@]2(C)O[C@@H]2CC[C@@](C)(O)[C@@H]2CC[C@@H]([C@](C)(O)COCOCC[Si](C)(C)C)O2)C(C)(C)O1.
What is the InChIKey of (2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-4-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]butan-2-ol?
The InChIKey is QGBPVHREZYJXHB-QZSSHXJKSA-N. The full InChI is InChI=1S/C29H56O8Si/c1-25(2)21(35-26(3,4)37-25)14-16-29(7)24(36-29)13-15-27(5,30)22-11-12-23(34-22)28(6,31)19-33-20-32-17-18-38(8,9)10/h21-24,30-31H,11-20H2,1-10H3/t21-,22+,23+,24-,27-,28-,29-/m1/s1.
What are the key properties of (2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-4-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]butan-2-ol?
(2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-4-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]butan-2-ol has a molecular weight of 560.85 g/mol, XLogP of 5.01, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-4-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]butan-2-ol is sourced from PubChem (CID 11272976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).