[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[acetyl(propyl)amino]oxan-2-yl]methyl acetate

C19H29NO10 — CID 11729689

IUPAC[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[acetyl(propyl)amino]oxan-2-yl]methyl acetate
SMILESCCCN(C(C)=O)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C19H29NO10/c1-7-8-20(10(2)21)19-18(29-14(6)25)17(28-13(5)24)16(27-12(4)23)15(30-19)9-26-11(3)22/h15-19H,7-9H2,1-6H3/t15-,16-,17+,18-,19-/m1/s1
InChIKeyDSLCQIQRLCOINZ-UJWQCDCRSA-N
MW431.44 g/mol
LogP0.33
Rot. Bonds8

About [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[acetyl(propyl)amino]oxan-2-yl]methyl acetate

[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[acetyl(propyl)amino]oxan-2-yl]methyl acetate (PubChem CID 11729689) has the molecular formula C19H29NO10 and a molecular weight of 431.44 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[acetyl(propyl)amino]oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[acetyl(propyl)amino]oxan-2-yl]methyl acetate
PubChem CID11729689
Molecular FormulaC19H29NO10
Molecular Weight431.44 g/mol
Exact Mass431.18
IUPAC Name[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[acetyl(propyl)amino]oxan-2-yl]methyl acetate
SMILESCCCN(C(C)=O)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C19H29NO10/c1-7-8-20(10(2)21)19-18(29-14(6)25)17(28-13(5)24)16(27-12(4)23)15(30-19)9-26-11(3)22/h15-19H,7-9H2,1-6H3/t15-,16-,17+,18-,19-/m1/s1
InChIKeyDSLCQIQRLCOINZ-UJWQCDCRSA-N
XLogP0.33
TPSA134.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[acetyl(propyl)amino]oxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[acetyl(propyl)amino]oxan-2-yl]methyl acetate (CID 11729689) is [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[acetyl(propyl)amino]oxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[acetyl(propyl)amino]oxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[acetyl(propyl)amino]oxan-2-yl]methyl acetate is CCCN(C(C)=O)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[acetyl(propyl)amino]oxan-2-yl]methyl acetate?
The InChIKey is DSLCQIQRLCOINZ-UJWQCDCRSA-N. The full InChI is InChI=1S/C19H29NO10/c1-7-8-20(10(2)21)19-18(29-14(6)25)17(28-13(5)24)16(27-12(4)23)15(30-19)9-26-11(3)22/h15-19H,7-9H2,1-6H3/t15-,16-,17+,18-,19-/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[acetyl(propyl)amino]oxan-2-yl]methyl acetate?
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[acetyl(propyl)amino]oxan-2-yl]methyl acetate has a molecular weight of 431.44 g/mol, XLogP of 0.33, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[acetyl(propyl)amino]oxan-2-yl]methyl acetate is sourced from PubChem (CID 11729689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).