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

C14H25NO7 — CID 10615570

IUPAC(2S,3R)-3-[(2S,4aR,6S,7R,7aR)-7-hydroxy-2-methyl-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]2CO[C@H](C)O[C@@H]2[C@@H]1O
InChIInChI=1S/C14H25NO7/c1-4-15(5-2)14(19)10(17)9(16)13-11(18)12-8(22-13)6-20-7(3)21-12/h7-13,16-18H,4-6H2,1-3H3/t7-,8+,9+,10-,11-,12-,13-/m0/s1
InChIKeyBYZFZQPZKJMWPK-CTLQVPDCSA-N
MW319.35 g/mol
LogP-1.53
Rot. Bonds5

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

(2S,3R)-3-[(2S,4aR,6S,7R,7aR)-7-hydroxy-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-N,N-diethyl-2,3-dihydroxypropanamide (PubChem CID 10615570) has the molecular formula C14H25NO7 and a molecular weight of 319.35 g/mol. Its IUPAC name is (2S,3R)-3-[(2S,4aR,6S,7R,7aR)-7-hydroxy-2-methyl-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(2S,3R)-3-[(2S,4aR,6S,7R,7aR)-7-hydroxy-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-N,N-diethyl-2,3-dihydroxypropanamide
PubChem CID10615570
Molecular FormulaC14H25NO7
Molecular Weight319.35 g/mol
Exact Mass319.16
IUPAC Name(2S,3R)-3-[(2S,4aR,6S,7R,7aR)-7-hydroxy-2-methyl-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]2CO[C@H](C)O[C@@H]2[C@@H]1O
InChIInChI=1S/C14H25NO7/c1-4-15(5-2)14(19)10(17)9(16)13-11(18)12-8(22-13)6-20-7(3)21-12/h7-13,16-18H,4-6H2,1-3H3/t7-,8+,9+,10-,11-,12-,13-/m0/s1
InChIKeyBYZFZQPZKJMWPK-CTLQVPDCSA-N
XLogP-1.53
TPSA108.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2S,3R)-3-[(2S,4aR,6S,7R,7aR)-7-hydroxy-2-methyl-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 (2S,3R)-3-[(2S,4aR,6S,7R,7aR)-7-hydroxy-2-methyl-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 (2S,3R)-3-[(2S,4aR,6S,7R,7aR)-7-hydroxy-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-N,N-diethyl-2,3-dihydroxypropanamide (CID 10615570) is (2S,3R)-3-[(2S,4aR,6S,7R,7aR)-7-hydroxy-2-methyl-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 (2S,3R)-3-[(2S,4aR,6S,7R,7aR)-7-hydroxy-2-methyl-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 (2S,3R)-3-[(2S,4aR,6S,7R,7aR)-7-hydroxy-2-methyl-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]2CO[C@H](C)O[C@@H]2[C@@H]1O.
What is the InChIKey of (2S,3R)-3-[(2S,4aR,6S,7R,7aR)-7-hydroxy-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-N,N-diethyl-2,3-dihydroxypropanamide?
The InChIKey is BYZFZQPZKJMWPK-CTLQVPDCSA-N. The full InChI is InChI=1S/C14H25NO7/c1-4-15(5-2)14(19)10(17)9(16)13-11(18)12-8(22-13)6-20-7(3)21-12/h7-13,16-18H,4-6H2,1-3H3/t7-,8+,9+,10-,11-,12-,13-/m0/s1.
What are the key properties of (2S,3R)-3-[(2S,4aR,6S,7R,7aR)-7-hydroxy-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-N,N-diethyl-2,3-dihydroxypropanamide?
(2S,3R)-3-[(2S,4aR,6S,7R,7aR)-7-hydroxy-2-methyl-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 319.35 g/mol, XLogP of -1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[(2S,4aR,6S,7R,7aR)-7-hydroxy-2-methyl-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 10615570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).