(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5S,6S)-3-hydroxy-6-[hydroxy(trimethylsilyl)methyl]-4,5,6-tris(trimethylsilyl)-4,5-bis(trimethylsilyloxy)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C30H70O11Si6 — CID 123511931

IUPAC(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5S,6S)-3-hydroxy-6-[hydroxy(trimethylsilyl)methyl]-4,5,6-tris(trimethylsilyl)-4,5-bis(trimethylsilyloxy)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESC[Si](C)(C)O[C@]1([Si](C)(C)C)[C@](C(O)[Si](C)(C)C)([Si](C)(C)C)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@]1(O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C30H70O11Si6/c1-42(2,3)27(36)29(44(7,8)9)30(45(10,11)12,41-47(16,17)18)28(43(4,5)6,40-46(13,14)15)24(35)26(39-29)38-25-23(34)22(33)21(32)20(19-31)37-25/h20-27,31-36H,19H2,1-18H3/t20-,21-,22+,23-,24+,25-,26+,27?,28+,29+,30-/m1/s1
InChIKeyHYANUJHQRHTNEH-WLTYROOGSA-N
MW775.39 g/mol
LogP3.31
Rot. Bonds12

About (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5S,6S)-3-hydroxy-6-[hydroxy(trimethylsilyl)methyl]-4,5,6-tris(trimethylsilyl)-4,5-bis(trimethylsilyloxy)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5S,6S)-3-hydroxy-6-[hydroxy(trimethylsilyl)methyl]-4,5,6-tris(trimethylsilyl)-4,5-bis(trimethylsilyloxy)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 123511931) has the molecular formula C30H70O11Si6 and a molecular weight of 775.39 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5S,6S)-3-hydroxy-6-[hydroxy(trimethylsilyl)methyl]-4,5,6-tris(trimethylsilyl)-4,5-bis(trimethylsilyloxy)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5S,6S)-3-hydroxy-6-[hydroxy(trimethylsilyl)methyl]-4,5,6-tris(trimethylsilyl)-4,5-bis(trimethylsilyloxy)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID123511931
Molecular FormulaC30H70O11Si6
Molecular Weight775.39 g/mol
Exact Mass774.35
IUPAC Name(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5S,6S)-3-hydroxy-6-[hydroxy(trimethylsilyl)methyl]-4,5,6-tris(trimethylsilyl)-4,5-bis(trimethylsilyloxy)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESC[Si](C)(C)O[C@]1([Si](C)(C)C)[C@](C(O)[Si](C)(C)C)([Si](C)(C)C)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@]1(O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C30H70O11Si6/c1-42(2,3)27(36)29(44(7,8)9)30(45(10,11)12,41-47(16,17)18)28(43(4,5)6,40-46(13,14)15)24(35)26(39-29)38-25-23(34)22(33)21(32)20(19-31)37-25/h20-27,31-36H,19H2,1-18H3/t20-,21-,22+,23-,24+,25-,26+,27?,28+,29+,30-/m1/s1
InChIKeyHYANUJHQRHTNEH-WLTYROOGSA-N
XLogP3.31
TPSA167.53 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500775.39
LogP ≤ 53.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5S,6S)-3-hydroxy-6-[hydroxy(trimethylsilyl)methyl]-4,5,6-tris(trimethylsilyl)-4,5-bis(trimethylsilyloxy)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5S,6S)-3-hydroxy-6-[hydroxy(trimethylsilyl)methyl]-4,5,6-tris(trimethylsilyl)-4,5-bis(trimethylsilyloxy)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5S,6S)-3-hydroxy-6-[hydroxy(trimethylsilyl)methyl]-4,5,6-tris(trimethylsilyl)-4,5-bis(trimethylsilyloxy)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 123511931) is (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5S,6S)-3-hydroxy-6-[hydroxy(trimethylsilyl)methyl]-4,5,6-tris(trimethylsilyl)-4,5-bis(trimethylsilyloxy)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5S,6S)-3-hydroxy-6-[hydroxy(trimethylsilyl)methyl]-4,5,6-tris(trimethylsilyl)-4,5-bis(trimethylsilyloxy)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5S,6S)-3-hydroxy-6-[hydroxy(trimethylsilyl)methyl]-4,5,6-tris(trimethylsilyl)-4,5-bis(trimethylsilyloxy)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is C[Si](C)(C)O[C@]1([Si](C)(C)C)[C@](C(O)[Si](C)(C)C)([Si](C)(C)C)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@]1(O[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5S,6S)-3-hydroxy-6-[hydroxy(trimethylsilyl)methyl]-4,5,6-tris(trimethylsilyl)-4,5-bis(trimethylsilyloxy)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is HYANUJHQRHTNEH-WLTYROOGSA-N. The full InChI is InChI=1S/C30H70O11Si6/c1-42(2,3)27(36)29(44(7,8)9)30(45(10,11)12,41-47(16,17)18)28(43(4,5)6,40-46(13,14)15)24(35)26(39-29)38-25-23(34)22(33)21(32)20(19-31)37-25/h20-27,31-36H,19H2,1-18H3/t20-,21-,22+,23-,24+,25-,26+,27?,28+,29+,30-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5S,6S)-3-hydroxy-6-[hydroxy(trimethylsilyl)methyl]-4,5,6-tris(trimethylsilyl)-4,5-bis(trimethylsilyloxy)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5S,6S)-3-hydroxy-6-[hydroxy(trimethylsilyl)methyl]-4,5,6-tris(trimethylsilyl)-4,5-bis(trimethylsilyloxy)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 775.39 g/mol, XLogP of 3.31, 12 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5S,6S)-3-hydroxy-6-[hydroxy(trimethylsilyl)methyl]-4,5,6-tris(trimethylsilyl)-4,5-bis(trimethylsilyloxy)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 123511931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).