[(2R,3R,4S,5S)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S)-5-(2-aminoethoxy)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy]oxolan-2-yl]methyl acetate

C30H57NO12Si2 — CID 101195978

About [(2R,3R,4S,5S)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S)-5-(2-aminoethoxy)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy]oxolan-2-yl]methyl acetate

[(2R,3R,4S,5S)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S)-5-(2-aminoethoxy)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy]oxolan-2-yl]methyl acetate (PubChem CID 101195978) has the molecular formula C30H57NO12Si2 and a molecular weight of 679.95 g/mol. Its IUPAC name is [(2R,3R,4S,5S)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S)-5-(2-aminoethoxy)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy]oxolan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5S)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S)-5-(2-aminoethoxy)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy]oxolan-2-yl]methyl acetate
• PubChem CID: 101195978
• Molecular Formula: C30H57NO12Si2
• Molecular Weight: 679.95 g/mol
• Exact Mass: 679.34
• IUPAC Name: [(2R,3R,4S,5S)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S)-5-(2-aminoethoxy)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy]oxolan-2-yl]methyl acetate
• SMILES: CC(=O)OC[C@H]1O[C@H](OC[C@H]2O[C@H](OCCN)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
• InChI: InChI=1S/C30H57NO12Si2/c1-18(32)36-16-21-23(38-19(2)33)25(39-20(3)34)27(40-21)37-17-22-24(42-44(10,11)29(4,5)6)26(28(41-22)35-15-14-31)43-45(12,13)30(7,8)9/h21-28H,14-17,31H2,1-13H3/t21-,22-,23-,24-,25+,26+,27+,28+/m1/s1
• InChIKey: KUJPYZPVLLDERH-MAILWWMQSA-N
• XLogP: 3.64
• TPSA: 160.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.95
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S)-5-(2-aminoethoxy)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy]oxolan-2-yl]methyl acetate?

The IUPAC name of [(2R,3R,4S,5S)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S)-5-(2-aminoethoxy)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy]oxolan-2-yl]methyl acetate (CID 101195978) is [(2R,3R,4S,5S)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S)-5-(2-aminoethoxy)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy]oxolan-2-yl]methyl acetate.

What is the SMILES notation for [(2R,3R,4S,5S)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S)-5-(2-aminoethoxy)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy]oxolan-2-yl]methyl acetate?

The canonical SMILES for [(2R,3R,4S,5S)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S)-5-(2-aminoethoxy)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy]oxolan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@H](OC[C@H]2O[C@H](OCCN)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.

What is the InChIKey of [(2R,3R,4S,5S)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S)-5-(2-aminoethoxy)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy]oxolan-2-yl]methyl acetate?

The InChIKey is KUJPYZPVLLDERH-MAILWWMQSA-N. The full InChI is InChI=1S/C30H57NO12Si2/c1-18(32)36-16-21-23(38-19(2)33)25(39-20(3)34)27(40-21)37-17-22-24(42-44(10,11)29(4,5)6)26(28(41-22)35-15-14-31)43-45(12,13)30(7,8)9/h21-28H,14-17,31H2,1-13H3/t21-,22-,23-,24-,25+,26+,27+,28+/m1/s1.

What are the key properties of [(2R,3R,4S,5S)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S)-5-(2-aminoethoxy)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy]oxolan-2-yl]methyl acetate?

[(2R,3R,4S,5S)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S)-5-(2-aminoethoxy)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy]oxolan-2-yl]methyl acetate has a molecular weight of 679.95 g/mol, XLogP of 3.64, 14 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5S)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S)-5-(2-aminoethoxy)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy]oxolan-2-yl]methyl acetate is sourced from PubChem (CID 101195978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).