[(2R,3R,4R,5R,6R)-6-[[(4aR,6S,7S,7aR)-2,2-ditert-butyl-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy]-3,4-diacetyloxy-5-azidooxan-2-yl]methyl acetate

C26H43N3O12Si — CID 71515281

About [(2R,3R,4R,5R,6R)-6-[[(4aR,6S,7S,7aR)-2,2-ditert-butyl-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy]-3,4-diacetyloxy-5-azidooxan-2-yl]methyl acetate

[(2R,3R,4R,5R,6R)-6-[[(4aR,6S,7S,7aR)-2,2-ditert-butyl-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy]-3,4-diacetyloxy-5-azidooxan-2-yl]methyl acetate (PubChem CID 71515281) has the molecular formula C26H43N3O12Si and a molecular weight of 617.73 g/mol. Its IUPAC name is [(2R,3R,4R,5R,6R)-6-[[(4aR,6S,7S,7aR)-2,2-ditert-butyl-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy]-3,4-diacetyloxy-5-azidooxan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R,6R)-6-[[(4aR,6S,7S,7aR)-2,2-ditert-butyl-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy]-3,4-diacetyloxy-5-azidooxan-2-yl]methyl acetate
• PubChem CID: 71515281
• Molecular Formula: C26H43N3O12Si
• Molecular Weight: 617.73 g/mol
• Exact Mass: 617.26
• IUPAC Name: [(2R,3R,4R,5R,6R)-6-[[(4aR,6S,7S,7aR)-2,2-ditert-butyl-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy]-3,4-diacetyloxy-5-azidooxan-2-yl]methyl acetate
• SMILES: CO[C@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]2[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1N=[N+]=[N-]
• InChI: InChI=1S/C26H43N3O12Si/c1-13(30)34-11-16-19(36-14(2)31)21(37-15(3)32)18(28-29-27)23(38-16)40-22-20-17(39-24(22)33-10)12-35-42(41-20,25(4,5)6)26(7,8)9/h16-24H,11-12H2,1-10H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+/m1/s1
• InChIKey: LZBWPBLPIIAIIW-GCSKNXKRSA-N
• XLogP: 3.03
• TPSA: 183.04 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.73
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R,6R)-6-[[(4aR,6S,7S,7aR)-2,2-ditert-butyl-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy]-3,4-diacetyloxy-5-azidooxan-2-yl]methyl acetate?

The IUPAC name of [(2R,3R,4R,5R,6R)-6-[[(4aR,6S,7S,7aR)-2,2-ditert-butyl-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy]-3,4-diacetyloxy-5-azidooxan-2-yl]methyl acetate (CID 71515281) is [(2R,3R,4R,5R,6R)-6-[[(4aR,6S,7S,7aR)-2,2-ditert-butyl-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy]-3,4-diacetyloxy-5-azidooxan-2-yl]methyl acetate.

What is the SMILES notation for [(2R,3R,4R,5R,6R)-6-[[(4aR,6S,7S,7aR)-2,2-ditert-butyl-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy]-3,4-diacetyloxy-5-azidooxan-2-yl]methyl acetate?

The canonical SMILES for [(2R,3R,4R,5R,6R)-6-[[(4aR,6S,7S,7aR)-2,2-ditert-butyl-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy]-3,4-diacetyloxy-5-azidooxan-2-yl]methyl acetate is CO[C@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]2[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1N=[N+]=[N-].

What is the InChIKey of [(2R,3R,4R,5R,6R)-6-[[(4aR,6S,7S,7aR)-2,2-ditert-butyl-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy]-3,4-diacetyloxy-5-azidooxan-2-yl]methyl acetate?

The InChIKey is LZBWPBLPIIAIIW-GCSKNXKRSA-N. The full InChI is InChI=1S/C26H43N3O12Si/c1-13(30)34-11-16-19(36-14(2)31)21(37-15(3)32)18(28-29-27)23(38-16)40-22-20-17(39-24(22)33-10)12-35-42(41-20,25(4,5)6)26(7,8)9/h16-24H,11-12H2,1-10H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+/m1/s1.

What are the key properties of [(2R,3R,4R,5R,6R)-6-[[(4aR,6S,7S,7aR)-2,2-ditert-butyl-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy]-3,4-diacetyloxy-5-azidooxan-2-yl]methyl acetate?

[(2R,3R,4R,5R,6R)-6-[[(4aR,6S,7S,7aR)-2,2-ditert-butyl-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy]-3,4-diacetyloxy-5-azidooxan-2-yl]methyl acetate has a molecular weight of 617.73 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R,6R)-6-[[(4aR,6S,7S,7aR)-2,2-ditert-butyl-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy]-3,4-diacetyloxy-5-azidooxan-2-yl]methyl acetate is sourced from PubChem (CID 71515281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).