Benzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid

C₂₁H₃₇NO₄Si — CID 66681717

About Benzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid

Benzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid (PubChem CID 66681717) has the molecular formula C₂₁H₃₇NO₄Si and a molecular weight of 395.62 g/mol. Its IUPAC name is benzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: Benzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid
• PubChem CID: 66681717
• Molecular Formula: C₂₁H₃₇NO₄Si
• Molecular Weight: 395.62 g/mol
• Exact Mass: 395.25
• IUPAC Name: benzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid
• SMILES: CC(C)[Si](OC[C@H](O)[C@@H](C)N(Cc1ccccc1)C(=O)O)(C(C)C)C(C)C
• InChI: InChI=1S/C21H37NO4Si/c1-15(2)27(16(3)4,17(5)6)26-14-20(23)18(7)22(21(24)25)13-19-11-9-8-10-12-19/h8-12,15-18,20,23H,13-14H2,1-7H3,(H,24,25)/t18-,20+/m1/s1
• InChIKey: PRIRLZKAKNXDOG-QUCCMNQESA-N
• XLogP: 5.11
• TPSA: 70.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.62
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Benzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid?

The IUPAC name of Benzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid (CID 66681717) is benzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid.

What is the SMILES notation for Benzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid?

The canonical SMILES for Benzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid is CC(C)[Si](OC[C@H](O)[C@@H](C)N(Cc1ccccc1)C(=O)O)(C(C)C)C(C)C.

What is the InChIKey of Benzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid?

The InChIKey is PRIRLZKAKNXDOG-QUCCMNQESA-N. The full InChI is InChI=1S/C21H37NO4Si/c1-15(2)27(16(3)4,17(5)6)26-14-20(23)18(7)22(21(24)25)13-19-11-9-8-10-12-19/h8-12,15-18,20,23H,13-14H2,1-7H3,(H,24,25)/t18-,20+/m1/s1.

What are the key properties of Benzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid?

Benzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid has a molecular weight of 395.62 g/mol, XLogP of 5.11, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Benzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid is sourced from PubChem (CID 66681717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66681717 — identifiers, structure, computed properties (public domain)

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