methyl (2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(carbamoylamino)oxolane-2-carboxylate

C26H56N2O7Si3 — CID 10864888

About methyl (2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(carbamoylamino)oxolane-2-carboxylate

methyl (2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(carbamoylamino)oxolane-2-carboxylate (PubChem CID 10864888) has the molecular formula C26H56N2O7Si3 and a molecular weight of 593.00 g/mol. Its IUPAC name is methyl (2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(carbamoylamino)oxolane-2-carboxylate.

Molecular Properties

• Compound Name: methyl (2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(carbamoylamino)oxolane-2-carboxylate
• PubChem CID: 10864888
• Molecular Formula: C26H56N2O7Si3
• Molecular Weight: 593.00 g/mol
• Exact Mass: 592.34
• IUPAC Name: methyl (2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(carbamoylamino)oxolane-2-carboxylate
• SMILES: COC(=O)[C@@]1(NC(N)=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C26H56N2O7Si3/c1-23(2,3)36(11,12)32-17-18-19(34-37(13,14)24(4,5)6)20(35-38(15,16)25(7,8)9)26(33-18,21(29)31-10)28-22(27)30/h18-20H,17H2,1-16H3,(H3,27,28,30)/t18-,19-,20+,26+/m1/s1
• InChIKey: BUVJVNUWTPPETJ-CWAZBZNHSA-N
• XLogP: 5.73
• TPSA: 118.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.00
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	2
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 methyl (2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(carbamoylamino)oxolane-2-carboxylate?

The IUPAC name of methyl (2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(carbamoylamino)oxolane-2-carboxylate (CID 10864888) is methyl (2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(carbamoylamino)oxolane-2-carboxylate.

What is the SMILES notation for methyl (2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(carbamoylamino)oxolane-2-carboxylate?

The canonical SMILES for methyl (2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(carbamoylamino)oxolane-2-carboxylate is COC(=O)[C@@]1(NC(N)=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of methyl (2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(carbamoylamino)oxolane-2-carboxylate?

The InChIKey is BUVJVNUWTPPETJ-CWAZBZNHSA-N. The full InChI is InChI=1S/C26H56N2O7Si3/c1-23(2,3)36(11,12)32-17-18-19(34-37(13,14)24(4,5)6)20(35-38(15,16)25(7,8)9)26(33-18,21(29)31-10)28-22(27)30/h18-20H,17H2,1-16H3,(H3,27,28,30)/t18-,19-,20+,26+/m1/s1.

What are the key properties of methyl (2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(carbamoylamino)oxolane-2-carboxylate?

methyl (2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(carbamoylamino)oxolane-2-carboxylate has a molecular weight of 593.00 g/mol, XLogP of 5.73, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(carbamoylamino)oxolane-2-carboxylate is sourced from PubChem (CID 10864888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).