N-[(2R,3S,5S)-4-[(2R,3S,5S)-6-[(hydrazinecarbonylamino)carbamoyl]-3,4-dihydroxy-5-propan-2-yloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide

C21H39N5O11 — CID 163612189

About N-[(2R,3S,5S)-4-[(2R,3S,5S)-6-[(hydrazinecarbonylamino)carbamoyl]-3,4-dihydroxy-5-propan-2-yloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide

N-[(2R,3S,5S)-4-[(2R,3S,5S)-6-[(hydrazinecarbonylamino)carbamoyl]-3,4-dihydroxy-5-propan-2-yloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide (PubChem CID 163612189) has the molecular formula C21H39N5O11 and a molecular weight of 537.57 g/mol. Its IUPAC name is N-[(2R,3S,5S)-4-[(2R,3S,5S)-6-[(hydrazinecarbonylamino)carbamoyl]-3,4-dihydroxy-5-propan-2-yloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,3S,5S)-4-[(2R,3S,5S)-6-[(hydrazinecarbonylamino)carbamoyl]-3,4-dihydroxy-5-propan-2-yloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide
• PubChem CID: 163612189
• Molecular Formula: C21H39N5O11
• Molecular Weight: 537.57 g/mol
• Exact Mass: 537.26
• IUPAC Name: N-[(2R,3S,5S)-4-[(2R,3S,5S)-6-[(hydrazinecarbonylamino)carbamoyl]-3,4-dihydroxy-5-propan-2-yloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide
• SMILES: CC(=O)N[C@H]1C(O[C@@H]2OC(C(=O)NNC(=O)NN)[C@@H](C(C)C)C(O)[C@@H]2O)[C@H](O)C(CO)O[C@H]1OC(C)C
• InChI: InChI=1S/C21H39N5O11/c1-7(2)11-14(30)15(31)20(36-16(11)18(32)25-26-21(33)24-22)37-17-12(23-9(5)28)19(34-8(3)4)35-10(6-27)13(17)29/h7-8,10-17,19-20,27,29-31H,6,22H2,1-5H3,(H,23,28)(H,25,32)(H2,24,26,33)/t10?,11-,12-,13+,14?,15-,16?,17?,19+,20-/m0/s1
• InChIKey: HGWRQHOZWFJZRW-DGENCQHLSA-N
• XLogP: -3.70
• TPSA: 243.19 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	537.57
LogP ≤ 5	-3.70
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,5S)-4-[(2R,3S,5S)-6-[(hydrazinecarbonylamino)carbamoyl]-3,4-dihydroxy-5-propan-2-yloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide?

The IUPAC name of N-[(2R,3S,5S)-4-[(2R,3S,5S)-6-[(hydrazinecarbonylamino)carbamoyl]-3,4-dihydroxy-5-propan-2-yloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide (CID 163612189) is N-[(2R,3S,5S)-4-[(2R,3S,5S)-6-[(hydrazinecarbonylamino)carbamoyl]-3,4-dihydroxy-5-propan-2-yloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide.

What is the SMILES notation for N-[(2R,3S,5S)-4-[(2R,3S,5S)-6-[(hydrazinecarbonylamino)carbamoyl]-3,4-dihydroxy-5-propan-2-yloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide?

The canonical SMILES for N-[(2R,3S,5S)-4-[(2R,3S,5S)-6-[(hydrazinecarbonylamino)carbamoyl]-3,4-dihydroxy-5-propan-2-yloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide is CC(=O)N[C@H]1C(O[C@@H]2OC(C(=O)NNC(=O)NN)[C@@H](C(C)C)C(O)[C@@H]2O)[C@H](O)C(CO)O[C@H]1OC(C)C.

What is the InChIKey of N-[(2R,3S,5S)-4-[(2R,3S,5S)-6-[(hydrazinecarbonylamino)carbamoyl]-3,4-dihydroxy-5-propan-2-yloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide?

The InChIKey is HGWRQHOZWFJZRW-DGENCQHLSA-N. The full InChI is InChI=1S/C21H39N5O11/c1-7(2)11-14(30)15(31)20(36-16(11)18(32)25-26-21(33)24-22)37-17-12(23-9(5)28)19(34-8(3)4)35-10(6-27)13(17)29/h7-8,10-17,19-20,27,29-31H,6,22H2,1-5H3,(H,23,28)(H,25,32)(H2,24,26,33)/t10?,11-,12-,13+,14?,15-,16?,17?,19+,20-/m0/s1.

What are the key properties of N-[(2R,3S,5S)-4-[(2R,3S,5S)-6-[(hydrazinecarbonylamino)carbamoyl]-3,4-dihydroxy-5-propan-2-yloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide?

N-[(2R,3S,5S)-4-[(2R,3S,5S)-6-[(hydrazinecarbonylamino)carbamoyl]-3,4-dihydroxy-5-propan-2-yloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide has a molecular weight of 537.57 g/mol, XLogP of -3.70, 8 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3S,5S)-4-[(2R,3S,5S)-6-[(hydrazinecarbonylamino)carbamoyl]-3,4-dihydroxy-5-propan-2-yloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide is sourced from PubChem (CID 163612189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).