(3aR,5R,6S,6aR)-5-[(E)-C-(hydroxymethyl)-N-methoxycarbonimidoyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

C10H17NO6 — CID 14483137

IUPAC(3aR,5R,6S,6aR)-5-[(E)-C-(hydroxymethyl)-N-methoxycarbonimidoyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
SMILESCO/N=C(\CO)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O
InChIInChI=1S/C10H17NO6/c1-10(2)16-8-6(13)7(15-9(8)17-10)5(4-12)11-14-3/h6-9,12-13H,4H2,1-3H3/b11-5+/t6-,7+,8+,9+/m0/s1
InChIKeyVWEIBAHMVSECDQ-YUEKCPPJSA-N
MW247.25 g/mol
LogP-0.78
Rot. Bonds3

About (3aR,5R,6S,6aR)-5-[(E)-C-(hydroxymethyl)-N-methoxycarbonimidoyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

(3aR,5R,6S,6aR)-5-[(E)-C-(hydroxymethyl)-N-methoxycarbonimidoyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol (PubChem CID 14483137) has the molecular formula C10H17NO6 and a molecular weight of 247.25 g/mol. Its IUPAC name is (3aR,5R,6S,6aR)-5-[(E)-C-(hydroxymethyl)-N-methoxycarbonimidoyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol.

Molecular Properties

Compound Name(3aR,5R,6S,6aR)-5-[(E)-C-(hydroxymethyl)-N-methoxycarbonimidoyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
PubChem CID14483137
Molecular FormulaC10H17NO6
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC Name(3aR,5R,6S,6aR)-5-[(E)-C-(hydroxymethyl)-N-methoxycarbonimidoyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
SMILESCO/N=C(\CO)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O
InChIInChI=1S/C10H17NO6/c1-10(2)16-8-6(13)7(15-9(8)17-10)5(4-12)11-14-3/h6-9,12-13H,4H2,1-3H3/b11-5+/t6-,7+,8+,9+/m0/s1
InChIKeyVWEIBAHMVSECDQ-YUEKCPPJSA-N
XLogP-0.78
TPSA89.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3aR,5R,6S,6aR)-5-[(E)-C-(hydroxymethyl)-N-methoxycarbonimidoyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3aR,5S,6R,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethanone
CID 11053121
(3aR,5R)-5-(2-hydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 159327740
(3aR,5S,6S,7S,7aR)-6,7-dihydroxy-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxylic acid
CID 12790130
(3aS,5S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 89108856
(3aR,5S,6R)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 59796059
(3aR,5S,6S,7R,7aR)-5-(chloromethyl)-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6,7-diol
CID 22826240
(5R,6S,6aR)-5-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 20848807
(3aR,5R,6S,7R,7aR)-6-aminooxy-5-(hydroxymethyl)-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-ol
CID 69188792
methyl (3aR,6R,7S)-6-hydroxy-2,2,7-trimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxylate
CID 58242475
(5R,6S,7R,7aR)-6-aminooxy-5-(hydroxymethyl)-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-ol
CID 69247162
(1R)-1-[(3aR,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 6541035
1-[(3aR,5R,6R)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 51340641

Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6S,6aR)-5-[(E)-C-(hydroxymethyl)-N-methoxycarbonimidoyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The IUPAC name of (3aR,5R,6S,6aR)-5-[(E)-C-(hydroxymethyl)-N-methoxycarbonimidoyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol (CID 14483137) is (3aR,5R,6S,6aR)-5-[(E)-C-(hydroxymethyl)-N-methoxycarbonimidoyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol.
What is the SMILES notation for (3aR,5R,6S,6aR)-5-[(E)-C-(hydroxymethyl)-N-methoxycarbonimidoyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The canonical SMILES for (3aR,5R,6S,6aR)-5-[(E)-C-(hydroxymethyl)-N-methoxycarbonimidoyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol is CO/N=C(\CO)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O.
What is the InChIKey of (3aR,5R,6S,6aR)-5-[(E)-C-(hydroxymethyl)-N-methoxycarbonimidoyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The InChIKey is VWEIBAHMVSECDQ-YUEKCPPJSA-N. The full InChI is InChI=1S/C10H17NO6/c1-10(2)16-8-6(13)7(15-9(8)17-10)5(4-12)11-14-3/h6-9,12-13H,4H2,1-3H3/b11-5+/t6-,7+,8+,9+/m0/s1.
What are the key properties of (3aR,5R,6S,6aR)-5-[(E)-C-(hydroxymethyl)-N-methoxycarbonimidoyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
(3aR,5R,6S,6aR)-5-[(E)-C-(hydroxymethyl)-N-methoxycarbonimidoyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol has a molecular weight of 247.25 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6S,6aR)-5-[(E)-C-(hydroxymethyl)-N-methoxycarbonimidoyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol is sourced from PubChem (CID 14483137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).