(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetaldehyde

C24H50O8Si2 — CID 10530043

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetaldehyde
SMILESCOCO[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@@H]([C@@H](C=O)O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]1OCOC
InChIInChI=1S/C24H50O8Si2/c1-17-19(18(14-25)31-33(10,11)23(2,3)4)30-22(32-34(12,13)24(5,6)7)21(29-16-27-9)20(17)28-15-26-8/h14,17-22H,15-16H2,1-13H3/t17-,18+,19+,20+,21-,22+/m0/s1
InChIKeySZKOGHXPSDSSSP-LJUYRKFLSA-N
MW522.83 g/mol
LogP4.94
Rot. Bonds12

About (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetaldehyde

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetaldehyde (PubChem CID 10530043) has the molecular formula C24H50O8Si2 and a molecular weight of 522.83 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetaldehyde.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetaldehyde
PubChem CID10530043
Molecular FormulaC24H50O8Si2
Molecular Weight522.83 g/mol
Exact Mass522.30
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetaldehyde
SMILESCOCO[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@@H]([C@@H](C=O)O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]1OCOC
InChIInChI=1S/C24H50O8Si2/c1-17-19(18(14-25)31-33(10,11)23(2,3)4)30-22(32-34(12,13)24(5,6)7)21(29-16-27-9)20(17)28-15-26-8/h14,17-22H,15-16H2,1-13H3/t17-,18+,19+,20+,21-,22+/m0/s1
InChIKeySZKOGHXPSDSSSP-LJUYRKFLSA-N
XLogP4.94
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.83
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4R,6R)-6-[(4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-ethyl-3-(methoxymethoxy)-4-methylheptanal
CID 25052809
(4S,5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-5-(oxan-2-yloxy)heptanal
CID 134863365
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,6-dimethoxyoxan-4-yl)-2-methylbutanal
CID 134875261
(2R,3R,4R,5R,6R)-6-[(2S,3S,6S)-6-methoxy-3-methyloxan-2-yl]-2,4-dimethyl-3,5-bis(triethylsilyloxy)heptanal
CID 134953250
Laminaribiose (8tms)-1
CID 91749909
TMS(-2)[TMS(-3)][TMS(-4)][TMS(-6)]Hex(?1-4)[TMS(-2)][TMS(-3)][TMS(-5)][TMS(-6)]aldehydo-Hex
CID 609203
4-[6-Methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal
CID 609349
3-[6-Methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal
CID 609444
TMS(-2)[TMS(-3)][TMS(-4)][TMS(-6)]Hex(?1-3)[TMS(-2)][TMS(-4)][TMS(-5)][TMS(-6)]aldehydo-Hex
CID 632355
TMS(-2)[TMS(-3)][TMS(-4)][TMS(-6)]Hex(?1-6)[TMS(-2)][TMS(-3)][TMS(-4)][TMS(-5)]aldehydo-Hex
CID 632356
D-Glucose, 4-O-[2,3,4,6-tetrakis-O-(trimethylsilyl)-beta-D-galactopyranosyl]-2,3,5,6-tetrakis-O-(trimethylsilyl)-
CID 91733368
d-Glucose, 6-O-[6-deoxy-2,3,4-tris-O-(trimethylsilyl)-alpha-l-mannopyranosyl]-2,3,4,5-tetrakis-O-(trimethylsilyl)-
CID 91733404

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetaldehyde?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetaldehyde (CID 10530043) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetaldehyde.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetaldehyde?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetaldehyde is COCO[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@@H]([C@@H](C=O)O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]1OCOC.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetaldehyde?
The InChIKey is SZKOGHXPSDSSSP-LJUYRKFLSA-N. The full InChI is InChI=1S/C24H50O8Si2/c1-17-19(18(14-25)31-33(10,11)23(2,3)4)30-22(32-34(12,13)24(5,6)7)21(29-16-27-9)20(17)28-15-26-8/h14,17-22H,15-16H2,1-13H3/t17-,18+,19+,20+,21-,22+/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetaldehyde?
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetaldehyde has a molecular weight of 522.83 g/mol, XLogP of 4.94, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetaldehyde is sourced from PubChem (CID 10530043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).