(2R,3S)-3-[(4aR,6S,7R,7aS)-7-hydroxy-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-N,N-diethyl-2,3-dihydroxypropanamide

C15H27NO7 — CID 10544622

IUPAC(2R,3S)-3-[(4aR,6S,7R,7aS)-7-hydroxy-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-N,N-diethyl-2,3-dihydroxypropanamide
SMILESCCN(CC)C(=O)[C@H](O)[C@H](O)[C@@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O
InChIInChI=1S/C15H27NO7/c1-5-16(6-2)14(20)10(18)9(17)13-11(19)12-8(22-13)7-21-15(3,4)23-12/h8-13,17-19H,5-7H2,1-4H3/t8-,9+,10-,11+,12-,13+/m1/s1
InChIKeyQUVPMDZHMVSENE-PDWLFKFUSA-N
MW333.38 g/mol
LogP-1.14
Rot. Bonds5

About (2R,3S)-3-[(4aR,6S,7R,7aS)-7-hydroxy-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-N,N-diethyl-2,3-dihydroxypropanamide

(2R,3S)-3-[(4aR,6S,7R,7aS)-7-hydroxy-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-N,N-diethyl-2,3-dihydroxypropanamide (PubChem CID 10544622) has the molecular formula C15H27NO7 and a molecular weight of 333.38 g/mol. Its IUPAC name is (2R,3S)-3-[(4aR,6S,7R,7aS)-7-hydroxy-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-N,N-diethyl-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name(2R,3S)-3-[(4aR,6S,7R,7aS)-7-hydroxy-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-N,N-diethyl-2,3-dihydroxypropanamide
PubChem CID10544622
Molecular FormulaC15H27NO7
Molecular Weight333.38 g/mol
Exact Mass333.18
IUPAC Name(2R,3S)-3-[(4aR,6S,7R,7aS)-7-hydroxy-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-N,N-diethyl-2,3-dihydroxypropanamide
SMILESCCN(CC)C(=O)[C@H](O)[C@H](O)[C@@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O
InChIInChI=1S/C15H27NO7/c1-5-16(6-2)14(20)10(18)9(17)13-11(19)12-8(22-13)7-21-15(3,4)23-12/h8-13,17-19H,5-7H2,1-4H3/t8-,9+,10-,11+,12-,13+/m1/s1
InChIKeyQUVPMDZHMVSENE-PDWLFKFUSA-N
XLogP-1.14
TPSA108.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R,3S)-3-[(4aR,6S,7R,7aS)-7-hydroxy-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-N,N-diethyl-2,3-dihydroxypropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[(4aR,6S,7R,7aS)-7-hydroxy-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-N,N-diethyl-2,3-dihydroxypropanamide?
The IUPAC name of (2R,3S)-3-[(4aR,6S,7R,7aS)-7-hydroxy-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-N,N-diethyl-2,3-dihydroxypropanamide (CID 10544622) is (2R,3S)-3-[(4aR,6S,7R,7aS)-7-hydroxy-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-N,N-diethyl-2,3-dihydroxypropanamide.
What is the SMILES notation for (2R,3S)-3-[(4aR,6S,7R,7aS)-7-hydroxy-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-N,N-diethyl-2,3-dihydroxypropanamide?
The canonical SMILES for (2R,3S)-3-[(4aR,6S,7R,7aS)-7-hydroxy-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-N,N-diethyl-2,3-dihydroxypropanamide is CCN(CC)C(=O)[C@H](O)[C@H](O)[C@@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O.
What is the InChIKey of (2R,3S)-3-[(4aR,6S,7R,7aS)-7-hydroxy-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-N,N-diethyl-2,3-dihydroxypropanamide?
The InChIKey is QUVPMDZHMVSENE-PDWLFKFUSA-N. The full InChI is InChI=1S/C15H27NO7/c1-5-16(6-2)14(20)10(18)9(17)13-11(19)12-8(22-13)7-21-15(3,4)23-12/h8-13,17-19H,5-7H2,1-4H3/t8-,9+,10-,11+,12-,13+/m1/s1.
What are the key properties of (2R,3S)-3-[(4aR,6S,7R,7aS)-7-hydroxy-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-N,N-diethyl-2,3-dihydroxypropanamide?
(2R,3S)-3-[(4aR,6S,7R,7aS)-7-hydroxy-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-N,N-diethyl-2,3-dihydroxypropanamide has a molecular weight of 333.38 g/mol, XLogP of -1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[(4aR,6S,7R,7aS)-7-hydroxy-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-N,N-diethyl-2,3-dihydroxypropanamide is sourced from PubChem (CID 10544622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).