(3R,4R,5R,6S)-4,5,6-trihydroxy-3-methoxy-2,2-dimethyloxane-4-carboxamide

C9H17NO6 — CID 70871295

IUPAC(3R,4R,5R,6S)-4,5,6-trihydroxy-3-methoxy-2,2-dimethyloxane-4-carboxamide
SMILESCO[C@H]1C(C)(C)O[C@H](O)[C@H](O)[C@]1(O)C(N)=O
InChIInChI=1S/C9H17NO6/c1-8(2)6(15-3)9(14,7(10)13)4(11)5(12)16-8/h4-6,11-12,14H,1-3H3,(H2,10,13)/t4-,5-,6-,9+/m0/s1
InChIKeyKCHJDSCZGUOAIO-WWSLTDMBSA-N
MW235.24 g/mol
LogP-2.29
Rot. Bonds2

About (3R,4R,5R,6S)-4,5,6-trihydroxy-3-methoxy-2,2-dimethyloxane-4-carboxamide

(3R,4R,5R,6S)-4,5,6-trihydroxy-3-methoxy-2,2-dimethyloxane-4-carboxamide (PubChem CID 70871295) has the molecular formula C9H17NO6 and a molecular weight of 235.24 g/mol. Its IUPAC name is (3R,4R,5R,6S)-4,5,6-trihydroxy-3-methoxy-2,2-dimethyloxane-4-carboxamide.

Molecular Properties

Compound Name(3R,4R,5R,6S)-4,5,6-trihydroxy-3-methoxy-2,2-dimethyloxane-4-carboxamide
PubChem CID70871295
Molecular FormulaC9H17NO6
Molecular Weight235.24 g/mol
Exact Mass235.11
IUPAC Name(3R,4R,5R,6S)-4,5,6-trihydroxy-3-methoxy-2,2-dimethyloxane-4-carboxamide
SMILESCO[C@H]1C(C)(C)O[C@H](O)[C@H](O)[C@]1(O)C(N)=O
InChIInChI=1S/C9H17NO6/c1-8(2)6(15-3)9(14,7(10)13)4(11)5(12)16-8/h4-6,11-12,14H,1-3H3,(H2,10,13)/t4-,5-,6-,9+/m0/s1
InChIKeyKCHJDSCZGUOAIO-WWSLTDMBSA-N
XLogP-2.29
TPSA122.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-2.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,6S)-4,5,6-trihydroxy-3-methoxy-2,2-dimethyloxane-4-carboxamide?
The IUPAC name of (3R,4R,5R,6S)-4,5,6-trihydroxy-3-methoxy-2,2-dimethyloxane-4-carboxamide (CID 70871295) is (3R,4R,5R,6S)-4,5,6-trihydroxy-3-methoxy-2,2-dimethyloxane-4-carboxamide.
What is the SMILES notation for (3R,4R,5R,6S)-4,5,6-trihydroxy-3-methoxy-2,2-dimethyloxane-4-carboxamide?
The canonical SMILES for (3R,4R,5R,6S)-4,5,6-trihydroxy-3-methoxy-2,2-dimethyloxane-4-carboxamide is CO[C@H]1C(C)(C)O[C@H](O)[C@H](O)[C@]1(O)C(N)=O.
What is the InChIKey of (3R,4R,5R,6S)-4,5,6-trihydroxy-3-methoxy-2,2-dimethyloxane-4-carboxamide?
The InChIKey is KCHJDSCZGUOAIO-WWSLTDMBSA-N. The full InChI is InChI=1S/C9H17NO6/c1-8(2)6(15-3)9(14,7(10)13)4(11)5(12)16-8/h4-6,11-12,14H,1-3H3,(H2,10,13)/t4-,5-,6-,9+/m0/s1.
What are the key properties of (3R,4R,5R,6S)-4,5,6-trihydroxy-3-methoxy-2,2-dimethyloxane-4-carboxamide?
(3R,4R,5R,6S)-4,5,6-trihydroxy-3-methoxy-2,2-dimethyloxane-4-carboxamide has a molecular weight of 235.24 g/mol, XLogP of -2.29, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6S)-4,5,6-trihydroxy-3-methoxy-2,2-dimethyloxane-4-carboxamide is sourced from PubChem (CID 70871295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).