(2R)-2-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(2S)-6-methoxy-3-oxooxan-2-yl]butyl]-6-methoxyoxan-3-one

C28H54O8Si2 — CID 10907950

IUPAC(2R)-2-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(2S)-6-methoxy-3-oxooxan-2-yl]butyl]-6-methoxyoxan-3-one
SMILESCOC1CCC(=O)[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C[C@H]2OC(OC)CCC2=O)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C28H54O8Si2/c1-27(2,3)37(9,10)35-23(17-21-19(29)13-15-25(31-7)33-21)24(36-38(11,12)28(4,5)6)18-22-20(30)14-16-26(32-8)34-22/h21-26H,13-18H2,1-12H3/t21-,22+,23+,24-,25?,26?
InChIKeyQVXNQZIVUNARTH-SZQCZRFBSA-N
MW574.90 g/mol
LogP5.99
Rot. Bonds11

About (2R)-2-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(2S)-6-methoxy-3-oxooxan-2-yl]butyl]-6-methoxyoxan-3-one

(2R)-2-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(2S)-6-methoxy-3-oxooxan-2-yl]butyl]-6-methoxyoxan-3-one (PubChem CID 10907950) has the molecular formula C28H54O8Si2 and a molecular weight of 574.90 g/mol. Its IUPAC name is (2R)-2-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(2S)-6-methoxy-3-oxooxan-2-yl]butyl]-6-methoxyoxan-3-one.

Molecular Properties

Compound Name(2R)-2-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(2S)-6-methoxy-3-oxooxan-2-yl]butyl]-6-methoxyoxan-3-one
PubChem CID10907950
Molecular FormulaC28H54O8Si2
Molecular Weight574.90 g/mol
Exact Mass574.34
IUPAC Name(2R)-2-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(2S)-6-methoxy-3-oxooxan-2-yl]butyl]-6-methoxyoxan-3-one
SMILESCOC1CCC(=O)[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C[C@H]2OC(OC)CCC2=O)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C28H54O8Si2/c1-27(2,3)37(9,10)35-23(17-21-19(29)13-15-25(31-7)33-21)24(36-38(11,12)28(4,5)6)18-22-20(30)14-16-26(32-8)34-22/h21-26H,13-18H2,1-12H3/t21-,22+,23+,24-,25?,26?
InChIKeyQVXNQZIVUNARTH-SZQCZRFBSA-N
XLogP5.99
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.90
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R)-2-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(2S)-6-methoxy-3-oxooxan-2-yl]butyl]-6-methoxyoxan-3-one with MolForge

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Related Compounds

methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]-2-oxobutanoate
CID 11113551
(2R)-2-[[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]oxan-3-one
CID 10475277
(6S,8S,9S,10S)-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-1,7-dioxaspiro[5.5]undecan-2-one
CID 10527289
1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one
CID 10885954
(2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-8-(2-oxobutyl)-1,7-dioxaspiro[5.5]undecane-2-carbaldehyde
CID 11384450
(2S)-2-[[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]oxan-3-one
CID 11740880
1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one
CID 11801227

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(2S)-6-methoxy-3-oxooxan-2-yl]butyl]-6-methoxyoxan-3-one?
The IUPAC name of (2R)-2-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(2S)-6-methoxy-3-oxooxan-2-yl]butyl]-6-methoxyoxan-3-one (CID 10907950) is (2R)-2-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(2S)-6-methoxy-3-oxooxan-2-yl]butyl]-6-methoxyoxan-3-one.
What is the SMILES notation for (2R)-2-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(2S)-6-methoxy-3-oxooxan-2-yl]butyl]-6-methoxyoxan-3-one?
The canonical SMILES for (2R)-2-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(2S)-6-methoxy-3-oxooxan-2-yl]butyl]-6-methoxyoxan-3-one is COC1CCC(=O)[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C[C@H]2OC(OC)CCC2=O)O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2R)-2-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(2S)-6-methoxy-3-oxooxan-2-yl]butyl]-6-methoxyoxan-3-one?
The InChIKey is QVXNQZIVUNARTH-SZQCZRFBSA-N. The full InChI is InChI=1S/C28H54O8Si2/c1-27(2,3)37(9,10)35-23(17-21-19(29)13-15-25(31-7)33-21)24(36-38(11,12)28(4,5)6)18-22-20(30)14-16-26(32-8)34-22/h21-26H,13-18H2,1-12H3/t21-,22+,23+,24-,25?,26?.
What are the key properties of (2R)-2-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(2S)-6-methoxy-3-oxooxan-2-yl]butyl]-6-methoxyoxan-3-one?
(2R)-2-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(2S)-6-methoxy-3-oxooxan-2-yl]butyl]-6-methoxyoxan-3-one has a molecular weight of 574.90 g/mol, XLogP of 5.99, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(2S)-6-methoxy-3-oxooxan-2-yl]butyl]-6-methoxyoxan-3-one is sourced from PubChem (CID 10907950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).