(2S,5R)-2-[[(3S)-4-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-4-methyl-6-[tri(propan-2-yl)silyloxymethyl]oxane-3,5-diol

C31H62O8Si2 — CID 54263435

IUPAC(2S,5R)-2-[[(3S)-4-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-4-methyl-6-[tri(propan-2-yl)silyloxymethyl]oxane-3,5-diol
SMILESCC1C(O)[C@H](O[C@H]2C(O)C=COC2CO[Si](C(C)C)(C(C)C)C(C)C)OC(CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O
InChIInChI=1S/C31H62O8Si2/c1-18(2)40(19(3)4,20(5)6)36-16-26-28(33)24(13)29(34)31(38-26)39-30-25(32)14-15-35-27(30)17-37-41(21(7)8,22(9)10)23(11)12/h14-15,18-34H,16-17H2,1-13H3/t24?,25?,26?,27?,28-,29?,30+,31+/m1/s1
InChIKeyRFCHGIKTDKUOAF-JUDRGFJMSA-N
MW619.00 g/mol
LogP6.11
Rot. Bonds14

About (2S,5R)-2-[[(3S)-4-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-4-methyl-6-[tri(propan-2-yl)silyloxymethyl]oxane-3,5-diol

(2S,5R)-2-[[(3S)-4-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-4-methyl-6-[tri(propan-2-yl)silyloxymethyl]oxane-3,5-diol (PubChem CID 54263435) has the molecular formula C31H62O8Si2 and a molecular weight of 619.00 g/mol. Its IUPAC name is (2S,5R)-2-[[(3S)-4-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-4-methyl-6-[tri(propan-2-yl)silyloxymethyl]oxane-3,5-diol.

Molecular Properties

Compound Name(2S,5R)-2-[[(3S)-4-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-4-methyl-6-[tri(propan-2-yl)silyloxymethyl]oxane-3,5-diol
PubChem CID54263435
Molecular FormulaC31H62O8Si2
Molecular Weight619.00 g/mol
Exact Mass618.40
IUPAC Name(2S,5R)-2-[[(3S)-4-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-4-methyl-6-[tri(propan-2-yl)silyloxymethyl]oxane-3,5-diol
SMILESCC1C(O)[C@H](O[C@H]2C(O)C=COC2CO[Si](C(C)C)(C(C)C)C(C)C)OC(CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O
InChIInChI=1S/C31H62O8Si2/c1-18(2)40(19(3)4,20(5)6)36-16-26-28(33)24(13)29(34)31(38-26)39-30-25(32)14-15-35-27(30)17-37-41(21(7)8,22(9)10)23(11)12/h14-15,18-34H,16-17H2,1-13H3/t24?,25?,26?,27?,28-,29?,30+,31+/m1/s1
InChIKeyRFCHGIKTDKUOAF-JUDRGFJMSA-N
XLogP6.11
TPSA106.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.00
LogP ≤ 56.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2S,5R)-2-[[(3S)-4-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-4-methyl-6-[tri(propan-2-yl)silyloxymethyl]oxane-3,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S,4R,5R,6S)-2-[(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentan-2-yl]-4-(methoxymethoxy)-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-5-ol
CID 11123792
(2R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(oxan-2-yloxy)oct-7-en-4-ol
CID 15981858
(2R,3S,4R,5R,6R)-2-[(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentan-2-yl]-4-(methoxymethoxy)-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-5-ol
CID 135054268
(2R,3S,4S,5S,6S)-2-(((tert-butyldimethylsilyl)oxy)methyl)-5-(((S)-1-cyclohexylallyl)oxy)-6-methoxytetrahydro-2H-pyran-3,4-diol
CID 166177094
(E)-4-[(2S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-4-methyloxan-2-yl]but-2-en-1-ol
CID 10863498
(4S,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-ol
CID 102276965
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[methyl-bis(trimethylsilyloxy)silyl]but-3-enoxy]oxane-3,4,5-triol
CID 67842017
(2R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(oxan-2-yloxymethyl)-3,4-dihydro-2H-pyran-3-ol
CID 89657965
[4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyloxan-2-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 91506166
7-[[(3R,4S,6R)-6-methoxy-3-methyl-4,5-bis(3,4,5,6,7-pentahydroxyhept-1-enoxy)oxan-2-yl]methoxy]hept-6-ene-1,2,3,4,5-pentol
CID 148127095
[(2R,4S,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-4-methyl-2-pent-4-enoxyoxan-3-yl] acetate
CID 167676953
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3,4-dihydro-2H-pyran-3-yl]oxy]oxane-3,4,5-triol
CID 4550889

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-[[(3S)-4-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-4-methyl-6-[tri(propan-2-yl)silyloxymethyl]oxane-3,5-diol?
The IUPAC name of (2S,5R)-2-[[(3S)-4-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-4-methyl-6-[tri(propan-2-yl)silyloxymethyl]oxane-3,5-diol (CID 54263435) is (2S,5R)-2-[[(3S)-4-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-4-methyl-6-[tri(propan-2-yl)silyloxymethyl]oxane-3,5-diol.
What is the SMILES notation for (2S,5R)-2-[[(3S)-4-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-4-methyl-6-[tri(propan-2-yl)silyloxymethyl]oxane-3,5-diol?
The canonical SMILES for (2S,5R)-2-[[(3S)-4-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-4-methyl-6-[tri(propan-2-yl)silyloxymethyl]oxane-3,5-diol is CC1C(O)[C@H](O[C@H]2C(O)C=COC2CO[Si](C(C)C)(C(C)C)C(C)C)OC(CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O.
What is the InChIKey of (2S,5R)-2-[[(3S)-4-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-4-methyl-6-[tri(propan-2-yl)silyloxymethyl]oxane-3,5-diol?
The InChIKey is RFCHGIKTDKUOAF-JUDRGFJMSA-N. The full InChI is InChI=1S/C31H62O8Si2/c1-18(2)40(19(3)4,20(5)6)36-16-26-28(33)24(13)29(34)31(38-26)39-30-25(32)14-15-35-27(30)17-37-41(21(7)8,22(9)10)23(11)12/h14-15,18-34H,16-17H2,1-13H3/t24?,25?,26?,27?,28-,29?,30+,31+/m1/s1.
What are the key properties of (2S,5R)-2-[[(3S)-4-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-4-methyl-6-[tri(propan-2-yl)silyloxymethyl]oxane-3,5-diol?
(2S,5R)-2-[[(3S)-4-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-4-methyl-6-[tri(propan-2-yl)silyloxymethyl]oxane-3,5-diol has a molecular weight of 619.00 g/mol, XLogP of 6.11, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-[[(3S)-4-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-4-methyl-6-[tri(propan-2-yl)silyloxymethyl]oxane-3,5-diol is sourced from PubChem (CID 54263435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).