(2S,3R)-3-[(2R,4aR,6S,7R,7aS)-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 10757968

IUPAC(2S,3R)-3-[(2R,4aR,6S,7R,7aS)-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+/m1/s1
InChIKeyBYZFZQPZKJMWPK-JUSONOGQSA-N
MW319.35 g/mol
LogP-1.53
Rot. Bonds5

About (2S,3R)-3-[(2R,4aR,6S,7R,7aS)-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-[(2R,4aR,6S,7R,7aS)-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 10757968) has the molecular formula C14H25NO7 and a molecular weight of 319.35 g/mol. Its IUPAC name is (2S,3R)-3-[(2R,4aR,6S,7R,7aS)-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-[(2R,4aR,6S,7R,7aS)-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 CID10757968
Molecular FormulaC14H25NO7
Molecular Weight319.35 g/mol
Exact Mass319.16
IUPAC Name(2S,3R)-3-[(2R,4aR,6S,7R,7aS)-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+/m1/s1
InChIKeyBYZFZQPZKJMWPK-JUSONOGQSA-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-[(2R,4aR,6S,7R,7aS)-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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Related Compounds

2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol
CID 171620816
(4aR,6R,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
CID 54419182
(2R,4aS,6S,7R,8S,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
CID 124811135
1-(2,6-dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)ethane-1,2-diol
CID 3617170
(4aR,7S,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 91271052
[(4aR,6S,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl] 2,2-dichloroacetate
CID 174900465
(2R)-N,N-diethyl-2-hydroxy-2-[(1R,2S,6R,7S,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]acetamide
CID 10595513
(4aR,6S,7R,8S,8aS)-6-methoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 102240590
N-[[[2-[6-hydroxy-5-(2-methyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-2-yl]acetyl]-methylamino]methyl]-N-methylpropanamide
CID 171448434
(8-hydroxy-6-methoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) acetate
CID 162417242
[(4aR,6S,8S,8aS)-6-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate
CID 56636288
N'-[6-hydroxy-5-(2-methyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-2-yl]-N,N,N'-trimethylpropanediamide
CID 171448377

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(2R,4aR,6S,7R,7aS)-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-[(2R,4aR,6S,7R,7aS)-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 10757968) is (2S,3R)-3-[(2R,4aR,6S,7R,7aS)-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-[(2R,4aR,6S,7R,7aS)-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-[(2R,4aR,6S,7R,7aS)-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-[(2R,4aR,6S,7R,7aS)-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-JUSONOGQSA-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+/m1/s1.
What are the key properties of (2S,3R)-3-[(2R,4aR,6S,7R,7aS)-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-[(2R,4aR,6S,7R,7aS)-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-[(2R,4aR,6S,7R,7aS)-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 10757968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).