(2S,3S,4S,5R,6S)-4-hydroxy-3,5,6-trimethoxyoxane-2-carboxamide

C9H17NO6 — CID 22215484

IUPAC(2S,3S,4S,5R,6S)-4-hydroxy-3,5,6-trimethoxyoxane-2-carboxamide
SMILESCO[C@H]1O[C@H](C(N)=O)[C@@H](OC)[C@H](O)[C@H]1OC
InChIInChI=1S/C9H17NO6/c1-13-5-4(11)6(14-2)9(15-3)16-7(5)8(10)12/h4-7,9,11H,1-3H3,(H2,10,12)/t4-,5-,6+,7-,9-/m0/s1
InChIKeyRSHVNMNYUREWOW-MNDKRXPHSA-N
MW235.24 g/mol
LogP-1.77
Rot. Bonds4

About (2S,3S,4S,5R,6S)-4-hydroxy-3,5,6-trimethoxyoxane-2-carboxamide

(2S,3S,4S,5R,6S)-4-hydroxy-3,5,6-trimethoxyoxane-2-carboxamide (PubChem CID 22215484) has the molecular formula C9H17NO6 and a molecular weight of 235.24 g/mol. Its IUPAC name is (2S,3S,4S,5R,6S)-4-hydroxy-3,5,6-trimethoxyoxane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,4S,5R,6S)-4-hydroxy-3,5,6-trimethoxyoxane-2-carboxamide
PubChem CID22215484
Molecular FormulaC9H17NO6
Molecular Weight235.24 g/mol
Exact Mass235.11
IUPAC Name(2S,3S,4S,5R,6S)-4-hydroxy-3,5,6-trimethoxyoxane-2-carboxamide
SMILESCO[C@H]1O[C@H](C(N)=O)[C@@H](OC)[C@H](O)[C@H]1OC
InChIInChI=1S/C9H17NO6/c1-13-5-4(11)6(14-2)9(15-3)16-7(5)8(10)12/h4-7,9,11H,1-3H3,(H2,10,12)/t4-,5-,6+,7-,9-/m0/s1
InChIKeyRSHVNMNYUREWOW-MNDKRXPHSA-N
XLogP-1.77
TPSA100.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-1.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,3S,4S,5R,6S)-4-hydroxy-3,5,6-trimethoxyoxane-2-carboxamide with MolForge

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Related Compounds

methyl 3,4-dihydroxy-5,6-dimethoxyoxane-2-carboxylate
CID 554147
(3S,4R,6R)-4-hydroxy-3,6-dimethoxy-5-sulfooxyoxane-2-carboxylic acid
CID 88564904
disodium;(2R,3S,4S,5R,6R)-4-hydroxy-3,6-dimethoxy-5-sulfonatooxyoxane-2-carboxylate
CID 102278158
(3S,4S,5R)-5-(2-amino-2-carboxyethoxy)-4-hydroxy-3,6-dimethoxyoxane-2-carboxylic acid
CID 153301820
methyl 6-(4,5-dihydroxy-6-methoxy-2-methoxycarbonyloxan-3-yl)oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylate
CID 59546641
CID 131878561
CID 131878561
(3S,4R,6R)-3-[(2R,4R,5S)-6-carboxy-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-methoxy-5-methyloxane-2-carboxylic acid;hydrate
CID 158209662
2-(6-carboxy-4-hydroxy-2,5-dimethoxyoxan-3-yl)oxyethyl-(carboxymethyl)-dimethylazanium
CID 157175711
(2R,3S,4S,5R,6R)-3,4-dihydroxy-6-methoxy-5-sulfooxyoxane-2-carboxylic acid
CID 70678485
(3S,4S,5R)-5-(5-amino-5-carboxypentoxy)-4-hydroxy-3,6-dimethoxyoxane-2-carboxylic acid
CID 153301806
4-aminooxy-3,5-dihydroxy-6-methoxyoxane-2-carboxylic acid
CID 145317527
(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid
CID 130754854

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6S)-4-hydroxy-3,5,6-trimethoxyoxane-2-carboxamide?
The IUPAC name of (2S,3S,4S,5R,6S)-4-hydroxy-3,5,6-trimethoxyoxane-2-carboxamide (CID 22215484) is (2S,3S,4S,5R,6S)-4-hydroxy-3,5,6-trimethoxyoxane-2-carboxamide.
What is the SMILES notation for (2S,3S,4S,5R,6S)-4-hydroxy-3,5,6-trimethoxyoxane-2-carboxamide?
The canonical SMILES for (2S,3S,4S,5R,6S)-4-hydroxy-3,5,6-trimethoxyoxane-2-carboxamide is CO[C@H]1O[C@H](C(N)=O)[C@@H](OC)[C@H](O)[C@H]1OC.
What is the InChIKey of (2S,3S,4S,5R,6S)-4-hydroxy-3,5,6-trimethoxyoxane-2-carboxamide?
The InChIKey is RSHVNMNYUREWOW-MNDKRXPHSA-N. The full InChI is InChI=1S/C9H17NO6/c1-13-5-4(11)6(14-2)9(15-3)16-7(5)8(10)12/h4-7,9,11H,1-3H3,(H2,10,12)/t4-,5-,6+,7-,9-/m0/s1.
What are the key properties of (2S,3S,4S,5R,6S)-4-hydroxy-3,5,6-trimethoxyoxane-2-carboxamide?
(2S,3S,4S,5R,6S)-4-hydroxy-3,5,6-trimethoxyoxane-2-carboxamide has a molecular weight of 235.24 g/mol, XLogP of -1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R,6S)-4-hydroxy-3,5,6-trimethoxyoxane-2-carboxamide is sourced from PubChem (CID 22215484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).