(3R,4S,5R,6S)-3-methoxy-5-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxane-2,4-diol

C25H54O6Si2 — CID 134941064

IUPAC(3R,4S,5R,6S)-3-methoxy-5-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxane-2,4-diol
SMILESCO[C@H]1C(O)O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1O
InChIInChI=1S/C25H54O6Si2/c1-15(2)32(16(3)4,17(5)6)29-14-21-23(22(26)24(28-13)25(27)30-21)31-33(18(7)8,19(9)10)20(11)12/h15-27H,14H2,1-13H3/t21-,22+,23-,24+,25?/m0/s1
InChIKeyVQUDWJIAEQMLEI-XMQIDUTNSA-N
MW506.87 g/mol
LogP5.83
Rot. Bonds12

About (3R,4S,5R,6S)-3-methoxy-5-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxane-2,4-diol

(3R,4S,5R,6S)-3-methoxy-5-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxane-2,4-diol (PubChem CID 134941064) has the molecular formula C25H54O6Si2 and a molecular weight of 506.87 g/mol. Its IUPAC name is (3R,4S,5R,6S)-3-methoxy-5-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxane-2,4-diol.

Molecular Properties

Compound Name(3R,4S,5R,6S)-3-methoxy-5-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxane-2,4-diol
PubChem CID134941064
Molecular FormulaC25H54O6Si2
Molecular Weight506.87 g/mol
Exact Mass506.35
IUPAC Name(3R,4S,5R,6S)-3-methoxy-5-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxane-2,4-diol
SMILESCO[C@H]1C(O)O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1O
InChIInChI=1S/C25H54O6Si2/c1-15(2)32(16(3)4,17(5)6)29-14-21-23(22(26)24(28-13)25(27)30-21)31-33(18(7)8,19(9)10)20(11)12/h15-27H,14H2,1-13H3/t21-,22+,23-,24+,25?/m0/s1
InChIKeyVQUDWJIAEQMLEI-XMQIDUTNSA-N
XLogP5.83
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.87
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6S)-3-methoxy-5-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxane-2,4-diol?
The IUPAC name of (3R,4S,5R,6S)-3-methoxy-5-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxane-2,4-diol (CID 134941064) is (3R,4S,5R,6S)-3-methoxy-5-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxane-2,4-diol.
What is the SMILES notation for (3R,4S,5R,6S)-3-methoxy-5-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxane-2,4-diol?
The canonical SMILES for (3R,4S,5R,6S)-3-methoxy-5-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxane-2,4-diol is CO[C@H]1C(O)O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1O.
What is the InChIKey of (3R,4S,5R,6S)-3-methoxy-5-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxane-2,4-diol?
The InChIKey is VQUDWJIAEQMLEI-XMQIDUTNSA-N. The full InChI is InChI=1S/C25H54O6Si2/c1-15(2)32(16(3)4,17(5)6)29-14-21-23(22(26)24(28-13)25(27)30-21)31-33(18(7)8,19(9)10)20(11)12/h15-27H,14H2,1-13H3/t21-,22+,23-,24+,25?/m0/s1.
What are the key properties of (3R,4S,5R,6S)-3-methoxy-5-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxane-2,4-diol?
(3R,4S,5R,6S)-3-methoxy-5-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxane-2,4-diol has a molecular weight of 506.87 g/mol, XLogP of 5.83, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6S)-3-methoxy-5-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxane-2,4-diol is sourced from PubChem (CID 134941064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).