(2R)-N-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide

C11H21NO7 — CID 101085995

IUPAC(2R)-N-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide
SMILESCO[C@@H]1O[C@H](C)[C@@H](NC(=O)[C@H](O)CCO)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H21NO7/c1-5-7(12-10(17)6(14)3-4-13)8(15)9(16)11(18-2)19-5/h5-9,11,13-16H,3-4H2,1-2H3,(H,12,17)/t5-,6-,7-,8+,9+,11-/m1/s1
InChIKeyASFHRCHAPWVLRF-ZQVBOCOSSA-N
MW279.29 g/mol
LogP-2.67
Rot. Bonds5

About (2R)-N-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide

(2R)-N-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide (PubChem CID 101085995) has the molecular formula C11H21NO7 and a molecular weight of 279.29 g/mol. Its IUPAC name is (2R)-N-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide.

Molecular Properties

Compound Name(2R)-N-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide
PubChem CID101085995
Molecular FormulaC11H21NO7
Molecular Weight279.29 g/mol
Exact Mass279.13
IUPAC Name(2R)-N-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide
SMILESCO[C@@H]1O[C@H](C)[C@@H](NC(=O)[C@H](O)CCO)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H21NO7/c1-5-7(12-10(17)6(14)3-4-13)8(15)9(16)11(18-2)19-5/h5-9,11,13-16H,3-4H2,1-2H3,(H,12,17)/t5-,6-,7-,8+,9+,11-/m1/s1
InChIKeyASFHRCHAPWVLRF-ZQVBOCOSSA-N
XLogP-2.67
TPSA128.48 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 5-2.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide?
The IUPAC name of (2R)-N-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide (CID 101085995) is (2R)-N-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide.
What is the SMILES notation for (2R)-N-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide?
The canonical SMILES for (2R)-N-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide is CO[C@@H]1O[C@H](C)[C@@H](NC(=O)[C@H](O)CCO)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R)-N-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide?
The InChIKey is ASFHRCHAPWVLRF-ZQVBOCOSSA-N. The full InChI is InChI=1S/C11H21NO7/c1-5-7(12-10(17)6(14)3-4-13)8(15)9(16)11(18-2)19-5/h5-9,11,13-16H,3-4H2,1-2H3,(H,12,17)/t5-,6-,7-,8+,9+,11-/m1/s1.
What are the key properties of (2R)-N-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide?
(2R)-N-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide has a molecular weight of 279.29 g/mol, XLogP of -2.67, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide is sourced from PubChem (CID 101085995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).