(3R,4S,5S,6R)-2-[4-chloro-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol

C30H37ClO7Si — CID 90291666

About (3R,4S,5S,6R)-2-[4-chloro-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol

(3R,4S,5S,6R)-2-[4-chloro-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol (PubChem CID 90291666) has the molecular formula C30H37ClO7Si and a molecular weight of 573.16 g/mol. Its IUPAC name is (3R,4S,5S,6R)-2-[4-chloro-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol.

Molecular Properties

• Compound Name: (3R,4S,5S,6R)-2-[4-chloro-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
• PubChem CID: 90291666
• Molecular Formula: C30H37ClO7Si
• Molecular Weight: 573.16 g/mol
• Exact Mass: 572.20
• IUPAC Name: (3R,4S,5S,6R)-2-[4-chloro-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
• SMILES: COC1(c2ccc(Cl)c(CCC(C)(C)[Si](O)(c3ccccc3)c3ccccc3)c2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C30H37ClO7Si/c1-29(2,39(36,22-10-6-4-7-11-22)23-12-8-5-9-13-23)17-16-20-18-21(14-15-24(20)31)30(37-3)28(35)27(34)26(33)25(19-32)38-30/h4-15,18,25-28,32-36H,16-17,19H2,1-3H3/t25-,26-,27+,28-,30?/m1/s1
• InChIKey: DBLYALIDXUHJMB-VAUJRCAMSA-N
• XLogP: 2.08
• TPSA: 119.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.16
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-2-[4-chloro-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol?

The IUPAC name of (3R,4S,5S,6R)-2-[4-chloro-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol (CID 90291666) is (3R,4S,5S,6R)-2-[4-chloro-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol.

What is the SMILES notation for (3R,4S,5S,6R)-2-[4-chloro-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol?

The canonical SMILES for (3R,4S,5S,6R)-2-[4-chloro-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol is COC1(c2ccc(Cl)c(CCC(C)(C)[Si](O)(c3ccccc3)c3ccccc3)c2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.

What is the InChIKey of (3R,4S,5S,6R)-2-[4-chloro-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol?

The InChIKey is DBLYALIDXUHJMB-VAUJRCAMSA-N. The full InChI is InChI=1S/C30H37ClO7Si/c1-29(2,39(36,22-10-6-4-7-11-22)23-12-8-5-9-13-23)17-16-20-18-21(14-15-24(20)31)30(37-3)28(35)27(34)26(33)25(19-32)38-30/h4-15,18,25-28,32-36H,16-17,19H2,1-3H3/t25-,26-,27+,28-,30?/m1/s1.

What are the key properties of (3R,4S,5S,6R)-2-[4-chloro-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol?

(3R,4S,5S,6R)-2-[4-chloro-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol has a molecular weight of 573.16 g/mol, XLogP of 2.08, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S,5S,6R)-2-[4-chloro-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 90291666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).