(2R,3R,4S,5S,6S)-4-[(2S)-but-3-en-2-yl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol

C17H34O6Si — CID 166177112

IUPAC(2R,3R,4S,5S,6S)-4-[(2S)-but-3-en-2-yl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol
SMILESC=C[C@H](C)O[C@@H]1[C@H](O)[C@@H](OC)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O
InChIInChI=1S/C17H34O6Si/c1-9-11(2)22-15-13(18)12(23-16(20-6)14(15)19)10-21-24(7,8)17(3,4)5/h9,11-16,18-19H,1,10H2,2-8H3/t11-,12+,13+,14-,15-,16-/m0/s1
InChIKeyMMXQIDQNFWUNQV-XFHWEBQZSA-N
MW362.54 g/mol
LogP2.06
Rot. Bonds7

About (2R,3R,4S,5S,6S)-4-[(2S)-but-3-en-2-yl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol

(2R,3R,4S,5S,6S)-4-[(2S)-but-3-en-2-yl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol (PubChem CID 166177112) has the molecular formula C17H34O6Si and a molecular weight of 362.54 g/mol. Its IUPAC name is (2R,3R,4S,5S,6S)-4-[(2S)-but-3-en-2-yl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6S)-4-[(2S)-but-3-en-2-yl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol
PubChem CID166177112
Molecular FormulaC17H34O6Si
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC Name(2R,3R,4S,5S,6S)-4-[(2S)-but-3-en-2-yl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol
SMILESC=C[C@H](C)O[C@@H]1[C@H](O)[C@@H](OC)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O
InChIInChI=1S/C17H34O6Si/c1-9-11(2)22-15-13(18)12(23-16(20-6)14(15)19)10-21-24(7,8)17(3,4)5/h9,11-16,18-19H,1,10H2,2-8H3/t11-,12+,13+,14-,15-,16-/m0/s1
InChIKeyMMXQIDQNFWUNQV-XFHWEBQZSA-N
XLogP2.06
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(2-Methylbut-3-En-2-Yloxy)Oxane-3,4,5-Triol
CID 5316128
TBDMS(-2)[TBDMS(-3)][TBDMS(-6)]Glc4F(a)-O-allyl
CID 140966535
2-(Hydroxymethyl)-6-(2-methylbut-3-en-2-yloxy)oxane-3,4,5-triol
CID 22457213
1-Methyl-2-propenyl beta-D-glucopyranoside
CID 10704838
(2S)-1-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxypent-4-en-2-ol
CID 10970397
(2R)-1-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxypent-4-en-2-ol
CID 11024767
3-Buten-2-yl glucopyranoside
CID 129682868
methyl 2,3,4-tri-O-allyl-alpha-d-glucopyranoside
CID 129829686
(3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxane-3,4,5-triol
CID 134852829
allyl(-2)[allyl(-3)][allyl(-4)][TBDMS(-6)]Glc-O-iPr
CID 146018811
[(2R,3R,4S,5R)-6-propan-2-yloxy-3,4,5-tris(prop-2-enoxy)oxan-2-yl]methanol
CID 146018812
(5aR,8S,9S,9aR)-8-(allyloxy)-2,2,4,4-tetraisopropyltetrahydro-6H-pyrano[3,4-f][1,3,5,2,4]trioxadisilepin-9-ol
CID 166177063

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6S)-4-[(2S)-but-3-en-2-yl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol?
The IUPAC name of (2R,3R,4S,5S,6S)-4-[(2S)-but-3-en-2-yl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol (CID 166177112) is (2R,3R,4S,5S,6S)-4-[(2S)-but-3-en-2-yl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol.
What is the SMILES notation for (2R,3R,4S,5S,6S)-4-[(2S)-but-3-en-2-yl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol?
The canonical SMILES for (2R,3R,4S,5S,6S)-4-[(2S)-but-3-en-2-yl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol is C=C[C@H](C)O[C@@H]1[C@H](O)[C@@H](OC)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6S)-4-[(2S)-but-3-en-2-yl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol?
The InChIKey is MMXQIDQNFWUNQV-XFHWEBQZSA-N. The full InChI is InChI=1S/C17H34O6Si/c1-9-11(2)22-15-13(18)12(23-16(20-6)14(15)19)10-21-24(7,8)17(3,4)5/h9,11-16,18-19H,1,10H2,2-8H3/t11-,12+,13+,14-,15-,16-/m0/s1.
What are the key properties of (2R,3R,4S,5S,6S)-4-[(2S)-but-3-en-2-yl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol?
(2R,3R,4S,5S,6S)-4-[(2S)-but-3-en-2-yl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol has a molecular weight of 362.54 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6S)-4-[(2S)-but-3-en-2-yl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol is sourced from PubChem (CID 166177112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).