trimethylsilyl (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexakis(trimethylsilyloxy)heptanoate

C28H70O8Si7 — CID 91749906

IUPACtrimethylsilyl (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexakis(trimethylsilyloxy)heptanoate
SMILESC[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C28H70O8Si7/c1-37(2,3)30-22-23(31-38(4,5)6)24(32-39(7,8)9)25(33-40(10,11)12)26(34-41(13,14)15)27(35-42(16,17)18)28(29)36-43(19,20)21/h23-27H,22H2,1-21H3/t23-,24-,25+,26-,27-/m1/s1
InChIKeyUPRYONQLEJIRBX-IURCNINISA-N
MW731.46 g/mol
LogP8.32
Rot. Bonds19

About trimethylsilyl (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexakis(trimethylsilyloxy)heptanoate

trimethylsilyl (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexakis(trimethylsilyloxy)heptanoate (PubChem CID 91749906) has the molecular formula C28H70O8Si7 and a molecular weight of 731.46 g/mol. Its IUPAC name is trimethylsilyl (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexakis(trimethylsilyloxy)heptanoate.

Molecular Properties

Compound Nametrimethylsilyl (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexakis(trimethylsilyloxy)heptanoate
PubChem CID91749906
Molecular FormulaC28H70O8Si7
Molecular Weight731.46 g/mol
Exact Mass730.35
IUPAC Nametrimethylsilyl (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexakis(trimethylsilyloxy)heptanoate
SMILESC[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C28H70O8Si7/c1-37(2,3)30-22-23(31-38(4,5)6)24(32-39(7,8)9)25(33-40(10,11)12)26(34-41(13,14)15)27(35-42(16,17)18)28(29)36-43(19,20)21/h23-27H,22H2,1-21H3/t23-,24-,25+,26-,27-/m1/s1
InChIKeyUPRYONQLEJIRBX-IURCNINISA-N
XLogP8.32
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.46
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze trimethylsilyl (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexakis(trimethylsilyloxy)heptanoate with MolForge

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Related Compounds

(3R,4S,5R,6R)-3,4,5-Tris-trimethylsilanyloxy-6-trimethylsilanyloxymethyl-tetrahydro-pyran-2-on
CID 10994280
D-Glucose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-
CID 522260
3,4,5-Tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 523407
D-Glucuronic acid, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester
CID 521649
Idonic acid, 2,3,5,6-tetrakis-O-(trimethylsilyl)-, lactone
CID 523382
Saccharic acid, TMS # 1
CID 523400
Glucaric acid, 2,3,5-tris-O-(trimethylsilyl)-, gamma-lactone, 6-(trimethylsilyl) ester
CID 553475
Glucaric acid, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, bis(trimethylsilyl) ester
CID 553859
Glucuronic acid, TMS # 1
CID 22211710
(2S,3S,4R,5R)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal
CID 15695113
Galactonic acid, hexakis-TMS
CID 523309
2,6-Dideoxy-ribo-hexonic acid, tetrakis-TMS
CID 523320

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexakis(trimethylsilyloxy)heptanoate?
The IUPAC name of trimethylsilyl (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexakis(trimethylsilyloxy)heptanoate (CID 91749906) is trimethylsilyl (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexakis(trimethylsilyloxy)heptanoate.
What is the SMILES notation for trimethylsilyl (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexakis(trimethylsilyloxy)heptanoate?
The canonical SMILES for trimethylsilyl (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexakis(trimethylsilyloxy)heptanoate is C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexakis(trimethylsilyloxy)heptanoate?
The InChIKey is UPRYONQLEJIRBX-IURCNINISA-N. The full InChI is InChI=1S/C28H70O8Si7/c1-37(2,3)30-22-23(31-38(4,5)6)24(32-39(7,8)9)25(33-40(10,11)12)26(34-41(13,14)15)27(35-42(16,17)18)28(29)36-43(19,20)21/h23-27H,22H2,1-21H3/t23-,24-,25+,26-,27-/m1/s1.
What are the key properties of trimethylsilyl (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexakis(trimethylsilyloxy)heptanoate?
trimethylsilyl (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexakis(trimethylsilyloxy)heptanoate has a molecular weight of 731.46 g/mol, XLogP of 8.32, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexakis(trimethylsilyloxy)heptanoate is sourced from PubChem (CID 91749906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).