(2R,3S,4S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2,3,4-triol

C18H40O6Si2 — CID 11618400

IUPAC(2R,3S,4S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2,3,4-triol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@](O)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H40O6Si2/c1-16(2,3)25(7,8)22-11-13-14(19)15(20)18(21,24-13)12-23-26(9,10)17(4,5)6/h13-15,19-21H,11-12H2,1-10H3/t13-,14-,15+,18-/m1/s1
InChIKeySOVZNAQFSPBCIC-ZXFNITATSA-N
MW408.68 g/mol
LogP2.84
Rot. Bonds6

About (2R,3S,4S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2,3,4-triol

(2R,3S,4S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2,3,4-triol (PubChem CID 11618400) has the molecular formula C18H40O6Si2 and a molecular weight of 408.68 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2,3,4-triol
PubChem CID11618400
Molecular FormulaC18H40O6Si2
Molecular Weight408.68 g/mol
Exact Mass408.24
IUPAC Name(2R,3S,4S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2,3,4-triol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@](O)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H40O6Si2/c1-16(2,3)25(7,8)22-11-13-14(19)15(20)18(21,24-13)12-23-26(9,10)17(4,5)6/h13-15,19-21H,11-12H2,1-10H3/t13-,14-,15+,18-/m1/s1
InChIKeySOVZNAQFSPBCIC-ZXFNITATSA-N
XLogP2.84
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.68
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,3S,4S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2,3,4-triol with MolForge

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Related Compounds

d-(-)-Fructofuranose pentakis(trimethylsilyl) ether
CID 53384594
2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 138967635
2-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 49793490
TBDMS(-2)[TBDMS(-3)][TBDMS(-5)]L-Ribf
CID 59795773
TBDMS(-3)[TBDMS(-5)]Ribf2F
CID 44238630
TBDMS(-3)[TBDMS(-5)]a-D-Araf2F
CID 66883690
(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 68041563
TBDMS(-2)[TBDMS(-3)][TBDMS(-6)]Glc4F
CID 140966524
(3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 173718057
D-(-)-Tagatofuranose, pentakis(trimethylsilyl) ether (isomer 1)
CID 523972
B-Fructofuranose, TMS
CID 6427431
[(2R,3R)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]methanol
CID 10881697

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2,3,4-triol?
The IUPAC name of (2R,3S,4S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2,3,4-triol (CID 11618400) is (2R,3S,4S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2,3,4-triol.
What is the SMILES notation for (2R,3S,4S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2,3,4-triol?
The canonical SMILES for (2R,3S,4S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2,3,4-triol is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](O)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2,3,4-triol?
The InChIKey is SOVZNAQFSPBCIC-ZXFNITATSA-N. The full InChI is InChI=1S/C18H40O6Si2/c1-16(2,3)25(7,8)22-11-13-14(19)15(20)18(21,24-13)12-23-26(9,10)17(4,5)6/h13-15,19-21H,11-12H2,1-10H3/t13-,14-,15+,18-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2,3,4-triol?
(2R,3S,4S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2,3,4-triol has a molecular weight of 408.68 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2,3,4-triol is sourced from PubChem (CID 11618400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).