6-[(3R,4S,5R,6R)-6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal

C33H78O10Si7 — CID 91733404

IUPAC6-[(3R,4S,5R,6R)-6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal
SMILESC[C@H]1OC(OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C33H78O10Si7/c1-25-28(39-46(8,9)10)31(42-49(17,18)19)32(43-50(20,21)22)33(36-25)35-24-27(38-45(5,6)7)30(41-48(14,15)16)29(40-47(11,12)13)26(23-34)37-44(2,3)4/h23,25-33H,24H2,1-22H3/t25-,26?,27?,28-,29?,30?,31+,32-,33?/m1/s1
InChIKeyXMXVMOCJRJFRMR-UPRKSUFOSA-N
MW831.58 g/mol
LogP8.49
Rot. Bonds21

About 6-[(3R,4S,5R,6R)-6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal

6-[(3R,4S,5R,6R)-6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal (PubChem CID 91733404) has the molecular formula C33H78O10Si7 and a molecular weight of 831.58 g/mol. Its IUPAC name is 6-[(3R,4S,5R,6R)-6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal.

Molecular Properties

Compound Name6-[(3R,4S,5R,6R)-6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal
PubChem CID91733404
Molecular FormulaC33H78O10Si7
Molecular Weight831.58 g/mol
Exact Mass830.40
IUPAC Name6-[(3R,4S,5R,6R)-6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal
SMILESC[C@H]1OC(OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C33H78O10Si7/c1-25-28(39-46(8,9)10)31(42-49(17,18)19)32(43-50(20,21)22)33(36-25)35-24-27(38-45(5,6)7)30(41-48(14,15)16)29(40-47(11,12)13)26(23-34)37-44(2,3)4/h23,25-33H,24H2,1-22H3/t25-,26?,27?,28-,29?,30?,31+,32-,33?/m1/s1
InChIKeyXMXVMOCJRJFRMR-UPRKSUFOSA-N
XLogP8.49
TPSA100.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.58
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-[(3R,4S,5R,6R)-6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal with MolForge

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Related Compounds

D-(+)-Galacturonic acid, 5TMS derivative
CID 553415
Methyl glucuronide, TMS
CID 609395
D(+)-Turanose, TMS
CID 22296522
D-Leucrose, TMS
CID 91750478
Glucuronic acid TMS
CID 22214290
alpha-Kojibiose TMS
CID 91747558
beta-Kojibiose TMS
CID 91747568
Maltulose TMS, #1
CID 91747577
beta-Galacturonic acid, TMS
CID 91747578
Laminaribiose (8tms)-1
CID 91749909
Xylobiose (6tms)-1
CID 91749915
Maltotriose (11tms)
CID 91749922

Frequently Asked Questions

What is the IUPAC name of 6-[(3R,4S,5R,6R)-6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal?
The IUPAC name of 6-[(3R,4S,5R,6R)-6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal (CID 91733404) is 6-[(3R,4S,5R,6R)-6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal.
What is the SMILES notation for 6-[(3R,4S,5R,6R)-6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal?
The canonical SMILES for 6-[(3R,4S,5R,6R)-6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal is C[C@H]1OC(OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C.
What is the InChIKey of 6-[(3R,4S,5R,6R)-6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal?
The InChIKey is XMXVMOCJRJFRMR-UPRKSUFOSA-N. The full InChI is InChI=1S/C33H78O10Si7/c1-25-28(39-46(8,9)10)31(42-49(17,18)19)32(43-50(20,21)22)33(36-25)35-24-27(38-45(5,6)7)30(41-48(14,15)16)29(40-47(11,12)13)26(23-34)37-44(2,3)4/h23,25-33H,24H2,1-22H3/t25-,26?,27?,28-,29?,30?,31+,32-,33?/m1/s1.
What are the key properties of 6-[(3R,4S,5R,6R)-6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal?
6-[(3R,4S,5R,6R)-6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal has a molecular weight of 831.58 g/mol, XLogP of 8.49, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,4S,5R,6R)-6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal is sourced from PubChem (CID 91733404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).