(2R,3R,5R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyloxane-3,5-diol

C19H40O5Si — CID 11682306

IUPAC(2R,3R,5R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyloxane-3,5-diol
SMILESC[C@H](CCCCCO[Si](C)(C)C(C)(C)C)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
InChIInChI=1S/C19H40O5Si/c1-14(23-18-17(21)13-16(20)15(2)24-18)11-9-8-10-12-22-25(6,7)19(3,4)5/h14-18,20-21H,8-13H2,1-7H3/t14-,15+,16-,17-,18-/m1/s1
InChIKeyANLYOVYZKLNEMI-CWQOZTLDSA-N
MW376.61 g/mol
LogP3.83
Rot. Bonds9

About (2R,3R,5R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyloxane-3,5-diol

(2R,3R,5R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyloxane-3,5-diol (PubChem CID 11682306) has the molecular formula C19H40O5Si and a molecular weight of 376.61 g/mol. Its IUPAC name is (2R,3R,5R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyloxane-3,5-diol.

Molecular Properties

Compound Name(2R,3R,5R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyloxane-3,5-diol
PubChem CID11682306
Molecular FormulaC19H40O5Si
Molecular Weight376.61 g/mol
Exact Mass376.26
IUPAC Name(2R,3R,5R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyloxane-3,5-diol
SMILESC[C@H](CCCCCO[Si](C)(C)C(C)(C)C)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
InChIInChI=1S/C19H40O5Si/c1-14(23-18-17(21)13-16(20)15(2)24-18)11-9-8-10-12-22-25(6,7)19(3,4)5/h14-18,20-21H,8-13H2,1-7H3/t14-,15+,16-,17-,18-/m1/s1
InChIKeyANLYOVYZKLNEMI-CWQOZTLDSA-N
XLogP3.83
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.61
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,3R,5R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyloxane-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

(10R)-10-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyundecanoic acid
CID 71514784
(20R)-20-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhenicosanoic acid
CID 86289709
(7R)-7-[(3S,5R)-3,5-dihydroxy-6-methyloxan-2-yl]oxyoctan-2-one
CID 144528479
16-(3,5-dihydroxy-6-methyloxan-2-yl)oxyheptadec-2-enoic acid
CID 162822049
13-(3,5-dihydroxy-6-methyloxan-2-yl)oxytetradec-2-enoic acid
CID 162822051
(2S,3R,5R,6R)-2-methyl-6-propan-2-yloxyoxane-3,5-diol
CID 130917816
(26R)-26-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-(2-hydroxyethyl)-3-oxoheptacosanamide
CID 118797965
tert-butyl (3R,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-methylheptanoate
CID 155725482
(3R)-3-[(2R,3S,5R)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutanoic acid
CID 122544007
tert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane
CID 101016623
tert-butyl (E,6R)-6-[(3S,5R)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate
CID 174031490
(E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoic acid
CID 86289656

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyloxane-3,5-diol?
The IUPAC name of (2R,3R,5R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyloxane-3,5-diol (CID 11682306) is (2R,3R,5R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyloxane-3,5-diol.
What is the SMILES notation for (2R,3R,5R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyloxane-3,5-diol?
The canonical SMILES for (2R,3R,5R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyloxane-3,5-diol is C[C@H](CCCCCO[Si](C)(C)C(C)(C)C)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.
What is the InChIKey of (2R,3R,5R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyloxane-3,5-diol?
The InChIKey is ANLYOVYZKLNEMI-CWQOZTLDSA-N. The full InChI is InChI=1S/C19H40O5Si/c1-14(23-18-17(21)13-16(20)15(2)24-18)11-9-8-10-12-22-25(6,7)19(3,4)5/h14-18,20-21H,8-13H2,1-7H3/t14-,15+,16-,17-,18-/m1/s1.
What are the key properties of (2R,3R,5R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyloxane-3,5-diol?
(2R,3R,5R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyloxane-3,5-diol has a molecular weight of 376.61 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyloxane-3,5-diol is sourced from PubChem (CID 11682306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).