(4R,5R,6R)-5-phenylmethoxy-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ol

C31H58O5Si2 — CID 139261347

IUPAC(4R,5R,6R)-5-phenylmethoxy-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ol
SMILESCC(C)[Si](OC[C@H]1OC(O)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1OCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C31H58O5Si2/c1-21(2)37(22(3)4,23(5)6)34-20-29-31(33-19-27-16-14-13-15-17-27)28(18-30(32)35-29)36-38(24(7)8,25(9)10)26(11)12/h13-17,21-26,28-32H,18-20H2,1-12H3/t28-,29-,30?,31+/m1/s1
InChIKeyNLTUCMLRLWNLNS-MNPNTUJWSA-N
MW566.97 g/mol
LogP8.43
Rot. Bonds14

About (4R,5R,6R)-5-phenylmethoxy-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ol

(4R,5R,6R)-5-phenylmethoxy-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ol (PubChem CID 139261347) has the molecular formula C31H58O5Si2 and a molecular weight of 566.97 g/mol. Its IUPAC name is (4R,5R,6R)-5-phenylmethoxy-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ol.

Molecular Properties

Compound Name(4R,5R,6R)-5-phenylmethoxy-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ol
PubChem CID139261347
Molecular FormulaC31H58O5Si2
Molecular Weight566.97 g/mol
Exact Mass566.38
IUPAC Name(4R,5R,6R)-5-phenylmethoxy-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ol
SMILESCC(C)[Si](OC[C@H]1OC(O)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1OCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C31H58O5Si2/c1-21(2)37(22(3)4,23(5)6)34-20-29-31(33-19-27-16-14-13-15-17-27)28(18-30(32)35-29)36-38(24(7)8,25(9)10)26(11)12/h13-17,21-26,28-32H,18-20H2,1-12H3/t28-,29-,30?,31+/m1/s1
InChIKeyNLTUCMLRLWNLNS-MNPNTUJWSA-N
XLogP8.43
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.97
LogP ≤ 58.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

[(2R,3R,4R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
CID 10885348
(2R,3S,4R,5R,6S)-2-[(E)-3-methoxyprop-2-enyl]-4,5-bis(phenylmethoxy)-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol
CID 101082677
(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 71530577
2-phenylmethoxy-4-tri(propan-2-yl)silyloxycyclopentan-1-ol
CID 169088344
(5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol
CID 126612131
[(2R,3S,4R)-4,6-dihydroxy-3-phenylmethoxyoxan-2-yl]methyl 2,2-dimethylpropanoate
CID 101033677
[(2R,3S,4R)-4-[(4-bromophenyl)methoxy]-3-phenylmethoxy-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
CID 101161369
(3R,4R,5R)-5-(methoxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 54024866
[(2S,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-phosphonooxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] 2,2-dimethylpropanoate
CID 69336760
[(2S,3S,4S,5R,6R)-2-[[(2R,3R,4S,5S,6S)-5-benzoyloxy-3,4-bis(phenylmethoxy)-6-prop-2-enoxyoxan-2-yl]methoxy]-6-[[(2S,3S,4R,5R,6R)-3-hydroxy-4,5-bis(phenylmethoxy)-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-yl]oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl] benzoate
CID 11974198
(2R,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enoxy]oxan-3-ol
CID 10930539
(5R,6aS)-5-phenylmethoxy-4-[tri(propan-2-yl)silyloxymethyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 66786814

Frequently Asked Questions

What is the IUPAC name of (4R,5R,6R)-5-phenylmethoxy-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ol?
The IUPAC name of (4R,5R,6R)-5-phenylmethoxy-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ol (CID 139261347) is (4R,5R,6R)-5-phenylmethoxy-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ol.
What is the SMILES notation for (4R,5R,6R)-5-phenylmethoxy-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ol?
The canonical SMILES for (4R,5R,6R)-5-phenylmethoxy-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ol is CC(C)[Si](OC[C@H]1OC(O)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1OCc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of (4R,5R,6R)-5-phenylmethoxy-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ol?
The InChIKey is NLTUCMLRLWNLNS-MNPNTUJWSA-N. The full InChI is InChI=1S/C31H58O5Si2/c1-21(2)37(22(3)4,23(5)6)34-20-29-31(33-19-27-16-14-13-15-17-27)28(18-30(32)35-29)36-38(24(7)8,25(9)10)26(11)12/h13-17,21-26,28-32H,18-20H2,1-12H3/t28-,29-,30?,31+/m1/s1.
What are the key properties of (4R,5R,6R)-5-phenylmethoxy-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ol?
(4R,5R,6R)-5-phenylmethoxy-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ol has a molecular weight of 566.97 g/mol, XLogP of 8.43, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6R)-5-phenylmethoxy-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ol is sourced from PubChem (CID 139261347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).