(2S,3S,4S,6S)-6-[(2S,3R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-5-yn-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxane-3,4-diol

C30H58O9Si2 — CID 101210684

IUPAC(2S,3S,4S,6S)-6-[(2S,3R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-5-yn-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxane-3,4-diol
SMILESC#C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@H]2C[C@H](O)[C@H](O)[C@H](C)O2)[C@H](C)O1)[C@H](C)O
InChIInChI=1S/C30H58O9Si2/c1-15-22(38-40(11,12)29(5,6)7)27(18(2)31)36-25-17-23(39-41(13,14)30(8,9)10)28(20(4)35-25)37-24-16-21(32)26(33)19(3)34-24/h1,18-28,31-33H,16-17H2,2-14H3/t18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+/m0/s1
InChIKeyBLTFBVWAZFGIKE-GZVFPVECSA-N
MW618.96 g/mol
LogP4.54
Rot. Bonds10

About (2S,3S,4S,6S)-6-[(2S,3R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-5-yn-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxane-3,4-diol

(2S,3S,4S,6S)-6-[(2S,3R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-5-yn-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxane-3,4-diol (PubChem CID 101210684) has the molecular formula C30H58O9Si2 and a molecular weight of 618.96 g/mol. Its IUPAC name is (2S,3S,4S,6S)-6-[(2S,3R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-5-yn-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S,6S)-6-[(2S,3R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-5-yn-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxane-3,4-diol
PubChem CID101210684
Molecular FormulaC30H58O9Si2
Molecular Weight618.96 g/mol
Exact Mass618.36
IUPAC Name(2S,3S,4S,6S)-6-[(2S,3R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-5-yn-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxane-3,4-diol
SMILESC#C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@H]2C[C@H](O)[C@H](O)[C@H](C)O2)[C@H](C)O1)[C@H](C)O
InChIInChI=1S/C30H58O9Si2/c1-15-22(38-40(11,12)29(5,6)7)27(18(2)31)36-25-17-23(39-41(13,14)30(8,9)10)28(20(4)35-25)37-24-16-21(32)26(33)19(3)34-24/h1,18-28,31-33H,16-17H2,2-14H3/t18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+/m0/s1
InChIKeyBLTFBVWAZFGIKE-GZVFPVECSA-N
XLogP4.54
TPSA116.07 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.96
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (2S,3S,4S,6S)-6-[(2S,3R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-5-yn-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxane-3,4-diol with MolForge

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Related Compounds

(2R,3S,4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylmethoxyoxan-3-yl]oxy-2-methyloxan-4-ol
CID 24897800
6-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxane-3,4-diol
CID 163002140
(4S,5S,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol
CID 91853555
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
(2R,3R,4S,5R,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-3,5-dimethylnon-8-yne-2,6-diol
CID 10970006
(2R,3S,4R,6R)-6-[(2R,3R,4R,6S)-3,6-dihydroxy-2-methyloxan-4-yl]oxy-2-methyloxane-3,4-diol
CID 91848517
6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol
CID 162710756
(2R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(dimethylamino)-6-methyloxan-2-ol
CID 16657977
[(4R,6R)-3-[(2R,4R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-6-methoxy-2-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 135022715
[(4R,6R)-3-[(2S,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-6-methoxy-2-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 135022559
(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
(3S,6S)-6-[(3R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2-methyloxane-3,4-diol
CID 70898410

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,6S)-6-[(2S,3R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-5-yn-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxane-3,4-diol?
The IUPAC name of (2S,3S,4S,6S)-6-[(2S,3R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-5-yn-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxane-3,4-diol (CID 101210684) is (2S,3S,4S,6S)-6-[(2S,3R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-5-yn-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxane-3,4-diol.
What is the SMILES notation for (2S,3S,4S,6S)-6-[(2S,3R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-5-yn-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxane-3,4-diol?
The canonical SMILES for (2S,3S,4S,6S)-6-[(2S,3R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-5-yn-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxane-3,4-diol is C#C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@H]2C[C@H](O)[C@H](O)[C@H](C)O2)[C@H](C)O1)[C@H](C)O.
What is the InChIKey of (2S,3S,4S,6S)-6-[(2S,3R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-5-yn-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxane-3,4-diol?
The InChIKey is BLTFBVWAZFGIKE-GZVFPVECSA-N. The full InChI is InChI=1S/C30H58O9Si2/c1-15-22(38-40(11,12)29(5,6)7)27(18(2)31)36-25-17-23(39-41(13,14)30(8,9)10)28(20(4)35-25)37-24-16-21(32)26(33)19(3)34-24/h1,18-28,31-33H,16-17H2,2-14H3/t18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+/m0/s1.
What are the key properties of (2S,3S,4S,6S)-6-[(2S,3R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-5-yn-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxane-3,4-diol?
(2S,3S,4S,6S)-6-[(2S,3R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-5-yn-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxane-3,4-diol has a molecular weight of 618.96 g/mol, XLogP of 4.54, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,6S)-6-[(2S,3R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-5-yn-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxane-3,4-diol is sourced from PubChem (CID 101210684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).