(2R,3R,4R)-4-[(2S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-yl]oxy-3-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-2-ol

C60H73IO6Si3 — CID 11297744

IUPAC(2R,3R,4R)-4-[(2S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-yl]oxy-3-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-2-ol
SMILESC#C[C@@H](O[C@@H]1O[C@H](C)[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1I)[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)O
InChIInChI=1S/C60H73IO6Si3/c1-13-52(54(44(2)62)65-68(58(4,5)6,46-32-20-14-21-33-46)47-34-22-15-23-35-47)64-57-53(61)56(67-70(60(10,11)12,50-40-28-18-29-41-50)51-42-30-19-31-43-51)55(45(3)63-57)66-69(59(7,8)9,48-36-24-16-25-37-48)49-38-26-17-27-39-49/h1,14-45,52-57,62H,2-12H3/t44-,45-,52-,53-,54-,55-,56-,57+/m1/s1
InChIKeyCVIOXXAGRLMSBD-PILHDAEJSA-N
MW1101.40 g/mol
LogP9.77
Rot. Bonds16

About (2R,3R,4R)-4-[(2S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-yl]oxy-3-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-2-ol

(2R,3R,4R)-4-[(2S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-yl]oxy-3-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-2-ol (PubChem CID 11297744) has the molecular formula C60H73IO6Si3 and a molecular weight of 1101.40 g/mol. Its IUPAC name is (2R,3R,4R)-4-[(2S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-yl]oxy-3-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-2-ol.

Molecular Properties

Compound Name(2R,3R,4R)-4-[(2S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-yl]oxy-3-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-2-ol
PubChem CID11297744
Molecular FormulaC60H73IO6Si3
Molecular Weight1101.40 g/mol
Exact Mass1100.38
IUPAC Name(2R,3R,4R)-4-[(2S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-yl]oxy-3-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-2-ol
SMILESC#C[C@@H](O[C@@H]1O[C@H](C)[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1I)[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)O
InChIInChI=1S/C60H73IO6Si3/c1-13-52(54(44(2)62)65-68(58(4,5)6,46-32-20-14-21-33-46)47-34-22-15-23-35-47)64-57-53(61)56(67-70(60(10,11)12,50-40-28-18-29-41-50)51-42-30-19-31-43-51)55(45(3)63-57)66-69(59(7,8)9,48-36-24-16-25-37-48)49-38-26-17-27-39-49/h1,14-45,52-57,62H,2-12H3/t44-,45-,52-,53-,54-,55-,56-,57+/m1/s1
InChIKeyCVIOXXAGRLMSBD-PILHDAEJSA-N
XLogP9.77
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001101.40
LogP ≤ 59.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,3R,4R)-4-[(2S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-yl]oxy-3-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-2-ol 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

[(2S,3R,4S,5R,6S)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-yl] acetate
CID 101050608
(2S,3S,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-ol
CID 171125346
tert-butyl-[(E,3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxy-diphenylsilane
CID 10713704
(2S,3R,4S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol
CID 177394561
(2S,3S,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-iodooxan-2-ol
CID 171122436
(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 102030687
(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol
CID 102433801
tert-butyl-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane
CID 59466777
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746
[(2S,5R,6R)-4-bromo-5-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-2-methyloxan-3-yl] acetate
CID 171124282
(2R,4R,5R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-2-methyloxan-3-one
CID 102370001
4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol
CID 159197453

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-4-[(2S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-yl]oxy-3-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-2-ol?
The IUPAC name of (2R,3R,4R)-4-[(2S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-yl]oxy-3-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-2-ol (CID 11297744) is (2R,3R,4R)-4-[(2S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-yl]oxy-3-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-2-ol.
What is the SMILES notation for (2R,3R,4R)-4-[(2S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-yl]oxy-3-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-2-ol?
The canonical SMILES for (2R,3R,4R)-4-[(2S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-yl]oxy-3-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-2-ol is C#C[C@@H](O[C@@H]1O[C@H](C)[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1I)[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)O.
What is the InChIKey of (2R,3R,4R)-4-[(2S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-yl]oxy-3-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-2-ol?
The InChIKey is CVIOXXAGRLMSBD-PILHDAEJSA-N. The full InChI is InChI=1S/C60H73IO6Si3/c1-13-52(54(44(2)62)65-68(58(4,5)6,46-32-20-14-21-33-46)47-34-22-15-23-35-47)64-57-53(61)56(67-70(60(10,11)12,50-40-28-18-29-41-50)51-42-30-19-31-43-51)55(45(3)63-57)66-69(59(7,8)9,48-36-24-16-25-37-48)49-38-26-17-27-39-49/h1,14-45,52-57,62H,2-12H3/t44-,45-,52-,53-,54-,55-,56-,57+/m1/s1.
What are the key properties of (2R,3R,4R)-4-[(2S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-yl]oxy-3-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-2-ol?
(2R,3R,4R)-4-[(2S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-yl]oxy-3-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-2-ol has a molecular weight of 1101.40 g/mol, XLogP of 9.77, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-4-[(2S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-yl]oxy-3-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-2-ol is sourced from PubChem (CID 11297744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).