[(2R,3S,4S,5R)-3,4,5-triacetyloxy-6-[2-hydroxy-4-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenoxy]oxan-2-yl]methyl acetate

C30H42N2O15 — CID 163639341

About [(2R,3S,4S,5R)-3,4,5-triacetyloxy-6-[2-hydroxy-4-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenoxy]oxan-2-yl]methyl acetate

[(2R,3S,4S,5R)-3,4,5-triacetyloxy-6-[2-hydroxy-4-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenoxy]oxan-2-yl]methyl acetate (PubChem CID 163639341) has the molecular formula C30H42N2O15 and a molecular weight of 670.66 g/mol. Its IUPAC name is [(2R,3S,4S,5R)-3,4,5-triacetyloxy-6-[2-hydroxy-4-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenoxy]oxan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(2R,3S,4S,5R)-3,4,5-triacetyloxy-6-[2-hydroxy-4-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenoxy]oxan-2-yl]methyl acetate
• PubChem CID: 163639341
• Molecular Formula: C30H42N2O15
• Molecular Weight: 670.66 g/mol
• Exact Mass: 670.26
• IUPAC Name: [(2R,3S,4S,5R)-3,4,5-triacetyloxy-6-[2-hydroxy-4-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenoxy]oxan-2-yl]methyl acetate
• SMILES: C=NCCOCCOCCOCCNC(=O)c1ccc(OC2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c(O)c1
• InChI: InChI=1S/C30H42N2O15/c1-18(33)42-17-25-26(43-19(2)34)27(44-20(3)35)28(45-21(4)36)30(47-25)46-24-7-6-22(16-23(24)37)29(38)32-9-11-40-13-15-41-14-12-39-10-8-31-5/h6-7,16,25-28,30,37H,5,8-15,17H2,1-4H3,(H,32,38)/t25-,26+,27+,28-,30?/m1/s1
• InChIKey: ICVVCEQRXHNMGM-GXWURSAASA-N
• XLogP: 0.33
• TPSA: 213.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.66
LogP ≤ 5	0.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R)-3,4,5-triacetyloxy-6-[2-hydroxy-4-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenoxy]oxan-2-yl]methyl acetate?

The IUPAC name of [(2R,3S,4S,5R)-3,4,5-triacetyloxy-6-[2-hydroxy-4-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenoxy]oxan-2-yl]methyl acetate (CID 163639341) is [(2R,3S,4S,5R)-3,4,5-triacetyloxy-6-[2-hydroxy-4-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenoxy]oxan-2-yl]methyl acetate.

What is the SMILES notation for [(2R,3S,4S,5R)-3,4,5-triacetyloxy-6-[2-hydroxy-4-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenoxy]oxan-2-yl]methyl acetate?

The canonical SMILES for [(2R,3S,4S,5R)-3,4,5-triacetyloxy-6-[2-hydroxy-4-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenoxy]oxan-2-yl]methyl acetate is C=NCCOCCOCCOCCNC(=O)c1ccc(OC2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c(O)c1.

What is the InChIKey of [(2R,3S,4S,5R)-3,4,5-triacetyloxy-6-[2-hydroxy-4-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenoxy]oxan-2-yl]methyl acetate?

The InChIKey is ICVVCEQRXHNMGM-GXWURSAASA-N. The full InChI is InChI=1S/C30H42N2O15/c1-18(33)42-17-25-26(43-19(2)34)27(44-20(3)35)28(45-21(4)36)30(47-25)46-24-7-6-22(16-23(24)37)29(38)32-9-11-40-13-15-41-14-12-39-10-8-31-5/h6-7,16,25-28,30,37H,5,8-15,17H2,1-4H3,(H,32,38)/t25-,26+,27+,28-,30?/m1/s1.

What are the key properties of [(2R,3S,4S,5R)-3,4,5-triacetyloxy-6-[2-hydroxy-4-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenoxy]oxan-2-yl]methyl acetate?

[(2R,3S,4S,5R)-3,4,5-triacetyloxy-6-[2-hydroxy-4-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenoxy]oxan-2-yl]methyl acetate has a molecular weight of 670.66 g/mol, XLogP of 0.33, 20 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4S,5R)-3,4,5-triacetyloxy-6-[2-hydroxy-4-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenoxy]oxan-2-yl]methyl acetate is sourced from PubChem (CID 163639341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).